CID 9589039

Brn 4258385

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
C1CC(=O)N[C@@H]1C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN3O2/c13-9-4-2-1-3-8(9)7-14-16-12(18)10-5-6-11(17)15-10/h1-4,7,10H,5-6H2,(H,15,17)(H,16,18)/b14-7+/t10-/m0/s1
InChIKey
VJHKSGPELAUONI-UQDQQJHMSA-N
Compound name
(2S)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 158.0
[M+Na]+ 288.05102 168.0
[M+NH4]+ 283.09562 164.8
[M+K]+ 304.02496 163.7
[M-H]- 264.05452 160.6
[M+Na-2H]- 286.03647 163.5
[M]+ 265.06125 160.0
[M]- 265.06235 160.0
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.