CID 4600652

882748-41-6

Structural Information

Molecular Formula
C21H17ClN2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C21H17ClN2O3/c22-19-11-10-18(14-20(19)24(26)27)23-13-12-21(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,23H,12-13H2
InChIKey
JELUAJCRVUSWBW-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-nitroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.09277 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10005 188.9
[M+Na]+ 403.08199 205.5
[M+NH4]+ 398.12659 197.0
[M+K]+ 419.05593 198.3
[M-H]- 379.08549 197.5
[M+Na-2H]- 401.06744 199.6
[M]+ 380.09222 194.1
[M]- 380.09332 194.1
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.