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
3
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]+ 357.180876 186.3
[M+Na]+ 379.162818 190.1
[M-H]- 355.166324 193.7
[M+NH4]+ 374.207423 198.6
[M+K]+ 395.136758 188.7
[M+H-H2O]+ 339.170860 176.6
[M+HCOO]- 401.171801 210.3
[M+CH3COO]- 415.187451 222.7
[M+Na-2H]- 377.148266 187.4
[M]+ 356.17305142 190.8
[M]- 356.17414858 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