CID 96815

Hippuryl-arg

Structural Information

Molecular Formula
C15H21N5O4
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1
InChIKey
GFLCPYUSPYXNBV-NSHDSACASA-N
Compound name
(2S)-2-[(2-benzamidoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

207
Patents

335.15936 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 179.1
[M+Na]+ 358.14858 181.2
[M+NH4]+ 353.19318 181.1
[M+K]+ 374.12252 180.2
[M-H]- 334.15208 178.7
[M+Na-2H]- 356.13403 179.6
[M]+ 335.15881 178.1
[M]- 335.15991 178.1
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