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 190.3
[M+Na]+ 403.08199 195.0
[M-H]- 379.08549 199.0
[M+NH4]+ 398.12659 200.7
[M+K]+ 419.05593 184.6
[M+H-H2O]+ 363.09003 185.4
[M+HCOO]- 425.09097 209.9
[M+CH3COO]- 439.10662 214.3
[M+Na-2H]- 401.06744 194.3
[M]+ 380.09222 190.8
[M]- 380.09332 190.8
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.