CID 3062048

80166-40-1

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]+ 410.207436 197.3
[M+Na]+ 432.189378 196.0
[M-H]- 408.192884 207.3
[M+NH4]+ 427.233983 205.8
[M+K]+ 448.163318 190.8
[M+H-H2O]+ 392.197420 190.8
[M+HCOO]- 454.198361 218.0
[M+CH3COO]- 468.214011 229.3
[M+Na-2H]- 430.174826 197.4
[M]+ 409.19961142 193.0
[M]- 409.20070858 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