PubChemLite - Ffr-nh2 (C24H33N7O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N

InChI

InChI=1S/C24H33N7O3/c25-18(14-16-8-3-1-4-9-16)22(33)31-20(15-17-10-5-2-6-11-17)23(34)30-19(21(26)32)12-7-13-29-24(27)28/h1-6,8-11,18-20H,7,12-15,25H2,(H2,26,32)(H,30,34)(H,31,33)(H4,27,28,29)/t18-,19-,20-/m0/s1

InChIKey

HZGYNNIYUFOTLL-UFYCRDLUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]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]+	468.27178	212.5
[M+Na]+	490.25372	208.2
[M-H]-	466.25722	216.5
[M+NH4]+	485.29832	216.4
[M+K]+	506.22766	207.8
[M+H-H2O]+	450.26176	201.0
[M+HCOO]-	512.26270	233.8
[M+CH3COO]-	526.27835	256.5
[M+Na-2H]-	488.23917	207.6
[M]+	467.26395	205.1
[M]-	467.26505	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.27178

212.5

[M+Na]+

490.25372

208.2

[M-H]-

466.25722

216.5

[M+NH4]+

485.29832

216.4

[M+K]+

506.22766

207.8

[M+H-H2O]+

450.26176

201.0

[M+HCOO]-

512.26270

233.8

[M+CH3COO]-

526.27835

256.5

[M+Na-2H]-

488.23917

207.6

[M]+

467.26395

205.1

[M]-

467.26505

205.1

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

Ffr-nh2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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