CID 184849

L-ornithuric acid

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1=CC=C(C=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1
InChIKey
NTRBNFOLBJWRAO-INIZCTEOSA-N
Compound name
(2S)-2,5-dibenzamidopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

340.1423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.6
[M+Na]+ 363.13152 182.1
[M-H]- 339.13502 184.7
[M+NH4]+ 358.17612 191.3
[M+K]+ 379.10546 179.2
[M+H-H2O]+ 323.13956 171.5
[M+HCOO]- 385.14050 201.2
[M+CH3COO]- 399.15615 212.8
[M+Na-2H]- 361.11697 181.6
[M]+ 340.14175 179.0
[M]- 340.14285 179.0
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