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]+ 402.165976 192.5
[M+Na]+ 424.147918 193.3
[M-H]- 400.151424 198.1
[M+NH4]+ 419.192523 200.7
[M+K]+ 440.121858 188.3
[M+H-H2O]+ 384.155960 187.2
[M+HCOO]- 446.156901 214.8
[M+CH3COO]- 460.172551 222.4
[M+Na-2H]- 422.133366 194.0
[M]+ 401.15815142 193.0
[M]- 401.15924858 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