CID 150964

Arginylphenylalanine

Structural Information

Molecular Formula
C15H23N5O3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1
InChIKey
PQBHGSGQZSOLIR-RYUDHWBXSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1767
Patents

321.18008 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18736 176.8
[M+Na]+ 344.16930 176.7
[M-H]- 320.17280 177.9
[M+NH4]+ 339.21390 187.6
[M+K]+ 360.14324 175.9
[M+H-H2O]+ 304.17734 167.7
[M+HCOO]- 366.17828 198.7
[M+CH3COO]- 380.19393 221.0
[M+Na-2H]- 342.15475 174.4
[M]+ 321.17953 170.8
[M]- 321.18063 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe