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]+ 372.15541 186.0
[M+Na]+ 394.13735 188.0
[M-H]- 370.14085 193.2
[M+NH4]+ 389.18195 196.2
[M+K]+ 410.11129 183.2
[M+H-H2O]+ 354.14539 180.9
[M+HCOO]- 416.14633 209.9
[M+CH3COO]- 430.16198 219.8
[M+Na-2H]- 392.12280 188.1
[M]+ 371.14758 186.7
[M]- 371.14868 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