CID 97369

154-92-7

Structural Information

Molecular Formula
C13H18N4O3
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1
InChIKey
RSYYQCDERUOEFI-JTQLQIEISA-N
Compound name
(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1708
Patents

278.13788 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14516 165.7
[M+Na]+ 301.12710 170.2
[M+NH4]+ 296.17170 169.6
[M+K]+ 317.10104 168.0
[M-H]- 277.13060 166.2
[M+Na-2H]- 299.11255 167.8
[M]+ 278.13733 165.5
[M]- 278.13843 165.5
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