CID 97150

73825-70-4

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
C1CC(C(=NC2=CC(=CC=C2)Cl)C1)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H16Cl2N2O/c19-12-4-1-6-14(10-12)21-17-9-3-8-16(17)18(23)22-15-7-2-5-13(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,22,23)
InChIKey
AGXFOJPZNKUIGM-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(3-chlorophenyl)iminocyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06396 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07124 183.1
[M+Na]+ 369.05318 190.3
[M-H]- 345.05668 193.0
[M+NH4]+ 364.09778 199.2
[M+K]+ 385.02712 182.9
[M+H-H2O]+ 329.06122 175.5
[M+HCOO]- 391.06216 198.7
[M+CH3COO]- 405.07781 193.7
[M+Na-2H]- 367.03863 183.1
[M]+ 346.06341 183.7
[M]- 346.06451 183.7
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.