CID 9589040

(e)-5-oxo-l-proline (1-(2-chlorophenyl)ethylidene)hydrazide hydrate

Structural Information

Molecular Formula
C13H14ClN3O2
SMILES
C/C(=N\NC(=O)[C@@H]1CCC(=O)N1)/C2=CC=CC=C2Cl
InChI
InChI=1S/C13H14ClN3O2/c1-8(9-4-2-3-5-10(9)14)16-17-13(19)11-6-7-12(18)15-11/h2-5,11H,6-7H2,1H3,(H,15,18)(H,17,19)/b16-8+/t11-/m0/s1
InChIKey
UABBEGSYSQJPTF-AXLKIAQESA-N
Compound name
(2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08473 163.8
[M+Na]+ 302.06667 169.8
[M-H]- 278.07017 168.9
[M+NH4]+ 297.11127 180.1
[M+K]+ 318.04061 165.0
[M+H-H2O]+ 262.07471 156.4
[M+HCOO]- 324.07565 181.5
[M+CH3COO]- 338.09130 200.2
[M+Na-2H]- 300.05212 164.4
[M]+ 279.07690 161.7
[M]- 279.07800 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.