PubChemLite - Fvgr-nh2 (C22H36N8O4)

Structural Information

Molecular Formula

SMILES

CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C22H36N8O4/c1-13(2)18(30-20(33)15(23)11-14-7-4-3-5-8-14)21(34)28-12-17(31)29-16(19(24)32)9-6-10-27-22(25)26/h3-5,7-8,13,15-16,18H,6,9-12,23H2,1-2H3,(H2,24,32)(H,28,34)(H,29,31)(H,30,33)(H4,25,26,27)/t15-,16-,18-/m0/s1

InChIKey

LORYNQLUAWLLSG-BQFCYCMXSA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

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]+	477.29323	217.4
[M+Na]+	499.27517	212.1
[M-H]-	475.27867	218.5
[M+NH4]+	494.31977	206.0
[M+K]+	515.24911	214.7
[M+H-H2O]+	459.28321	206.3
[M+HCOO]-	521.28415	187.9
[M+CH3COO]-	535.29980	262.8
[M+Na-2H]-	497.26062	208.5
[M]+	476.28540	210.1
[M]-	476.28650	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.29323

217.4

[M+Na]+

499.27517

212.1

[M-H]-

475.27867

218.5

[M+NH4]+

494.31977

206.0

[M+K]+

515.24911

214.7

[M+H-H2O]+

459.28321

206.3

[M+HCOO]-

521.28415

187.9

[M+CH3COO]-

535.29980

262.8

[M+Na-2H]-

497.26062

208.5

[M]+

476.28540

210.1

[M]-

476.28650

210.1

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

Fvgr-nh2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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