CID 1270344

329779-17-1

Structural Information

Molecular Formula
C21H18ClN3O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C21H18ClN3O3/c22-18-12-11-17(13-19(18)25(27)28)24-20(26)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,23H,14H2,(H,24,26)
InChIKey
XMBJEEIWJKXAGN-UHFFFAOYSA-N
Compound name
2-(benzhydrylamino)-N-(4-chloro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10367 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11095 191.8
[M+Na]+ 418.09289 194.5
[M-H]- 394.09639 200.2
[M+NH4]+ 413.13749 200.9
[M+K]+ 434.06683 184.7
[M+H-H2O]+ 378.10093 186.7
[M+HCOO]- 440.10187 211.6
[M+CH3COO]- 454.11752 218.1
[M+Na-2H]- 416.07834 196.2
[M]+ 395.10312 190.7
[M]- 395.10422 190.7
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.