CID 116812

Acetamide, n-[3-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-4-methoxyphenyl]-

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(CCOC(=O)C)CC2=CC=CC=C2
InChI
InChI=1S/C20H24N2O4/c1-15(23)21-18-9-10-20(25-3)19(13-18)22(11-12-26-16(2)24)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)
InChIKey
FQPUJVKCDSBZLW-UHFFFAOYSA-N
Compound name
2-(5-acetamido-N-benzyl-2-methoxyanilino)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

356.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 186.3
[M+Na]+ 379.16282 190.1
[M-H]- 355.16632 193.7
[M+NH4]+ 374.20742 198.6
[M+K]+ 395.13676 188.7
[M+H-H2O]+ 339.17086 176.6
[M+HCOO]- 401.17180 210.3
[M+CH3COO]- 415.18745 222.7
[M+Na-2H]- 377.14827 187.4
[M]+ 356.17305 190.8
[M]- 356.17415 190.8
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