CID 3062048

N-(2-benzoyl-4-nitrophenyl)-2-(cyclohexylmethylamino)-n-methylacetamide fumarate

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CN(CC(=O)N(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C23H27N3O4/c1-24(18-11-7-4-8-12-18)16-22(27)25(2)21-14-13-19(26(29)30)15-20(21)23(28)17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3
InChIKey
YYKOBQGELBYNNQ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.20016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 197.3
[M+Na]+ 432.18938 196.0
[M-H]- 408.19288 207.3
[M+NH4]+ 427.23398 205.8
[M+K]+ 448.16332 190.8
[M+H-H2O]+ 392.19742 190.8
[M+HCOO]- 454.19836 218.0
[M+CH3COO]- 468.21401 229.3
[M+Na-2H]- 430.17483 197.4
[M]+ 409.19961 193.0
[M]- 409.20071 193.0
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

patents stripe