CID 2883636

Oprea1_073381

Structural Information

Molecular Formula
C18H16ClN3O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16ClN3O4/c1-11-15(19)6-3-7-16(11)20-18(24)12-8-17(23)21(10-12)13-4-2-5-14(9-13)22(25)26/h2-7,9,12H,8,10H2,1H3,(H,20,24)
InChIKey
CTRMQOKVUTVQDN-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.08295 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09023 186.8
[M+Na]+ 396.07217 192.6
[M-H]- 372.07567 195.3
[M+NH4]+ 391.11677 198.5
[M+K]+ 412.04611 183.3
[M+H-H2O]+ 356.08021 182.8
[M+HCOO]- 418.08115 204.6
[M+CH3COO]- 432.09680 211.4
[M+Na-2H]- 394.05762 187.7
[M]+ 373.08240 185.9
[M]- 373.08350 185.9
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

No patent data available for this compound.