CID 3062055

Acetamide, n-(2-benzoyl-4-nitrophenyl)-2-((2-hydroxyethyl)methylamino)-n-methyl-

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CN(CCO)CC(=O)N(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21N3O5/c1-20(10-11-23)13-18(24)21(2)17-9-8-15(22(26)27)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3
InChIKey
DHJUEHCUVFRCNU-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.14813 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.155406 186.0
[M+Na]+ 394.137348 188.0
[M-H]- 370.140854 193.2
[M+NH4]+ 389.181953 196.2
[M+K]+ 410.111288 183.2
[M+H-H2O]+ 354.145390 180.9
[M+HCOO]- 416.146331 209.9
[M+CH3COO]- 430.161981 219.8
[M+Na-2H]- 392.122796 188.1
[M]+ 371.14758142 186.7
[M]- 371.14867858 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

patents stripe