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 192.6
[M+Na]+ 418.17372 203.1
[M+NH4]+ 413.21832 198.8
[M+K]+ 434.14766 199.5
[M-H]- 394.17722 199.9
[M+Na-2H]- 416.15917 199.9
[M]+ 395.18395 195.7
[M]- 395.18505 195.7
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.