PubChemLite - Fgkr-nh2 (C23H39N9O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N

InChI

InChI=1S/C23H39N9O4/c24-11-5-4-9-18(22(36)32-17(20(26)34)10-6-12-29-23(27)28)31-19(33)14-30-21(35)16(25)13-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,24-25H2,(H2,26,34)(H,30,35)(H,31,33)(H,32,36)(H4,27,28,29)/t16-,17-,18-/m0/s1

InChIKey

OANBCJPSYWHUTL-BZSNNMDCSA-N

Compound name

(2S)-6-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]hexanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	506.31978	219.3
[M+Na]+	528.30172	213.1
[M-H]-	504.30522	219.8
[M+NH4]+	523.34632	206.2
[M+K]+	544.27566	215.5
[M+H-H2O]+	488.30976	207.4
[M+HCOO]-	550.31070	190.9
[M+CH3COO]-	564.32635	269.7
[M+Na-2H]-	526.28717	264.9
[M]+	505.31195	211.3
[M]-	505.31305	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.31978

219.3

[M+Na]+

528.30172

213.1

[M-H]-

504.30522

219.8

[M+NH4]+

523.34632

206.2

[M+K]+

544.27566

215.5

[M+H-H2O]+

488.30976

207.4

[M+HCOO]-

550.31070

190.9

[M+CH3COO]-

564.32635

269.7

[M+Na-2H]-

526.28717

264.9

[M]+

505.31195

211.3

[M]-

505.31305

211.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fgkr-nh2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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