CID 3060184

Acetamide, n-(2-benzoyl-4-nitrophenyl)-2-(cyclohexylamino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3
InChI
InChI=1S/C22H25N3O4/c1-24(21(26)15-23-17-10-6-3-7-11-17)20-13-12-18(25(28)29)14-19(20)22(27)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17,23H,3,6-7,10-11,15H2,1H3
InChIKey
ULOCBLNZUZLWLI-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.1845 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 192.5
[M+Na]+ 418.17372 191.5
[M-H]- 394.17722 201.4
[M+NH4]+ 413.21832 201.0
[M+K]+ 434.14766 185.0
[M+H-H2O]+ 378.18176 186.3
[M+HCOO]- 440.18270 213.1
[M+CH3COO]- 454.19835 223.1
[M+Na-2H]- 416.15917 193.9
[M]+ 395.18395 186.7
[M]- 395.18505 186.7
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.