CID 3062056

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

Structural Information

Molecular Formula
C20H23N3O6
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN(CCO)CCO
InChI
InChI=1S/C20H23N3O6/c1-21(19(26)14-22(9-11-24)10-12-25)18-8-7-16(23(28)29)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13,24-25H,9-12,14H2,1H3
InChIKey
CFUDKENXDKOWDT-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

401.1587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 192.5
[M+Na]+ 424.14792 193.3
[M-H]- 400.15142 198.1
[M+NH4]+ 419.19252 200.7
[M+K]+ 440.12186 188.3
[M+H-H2O]+ 384.15596 187.2
[M+HCOO]- 446.15690 214.8
[M+CH3COO]- 460.17255 222.4
[M+Na-2H]- 422.13337 194.0
[M]+ 401.15815 193.0
[M]- 401.15925 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