CID 119972

Acetamide, n-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCOC(=O)C
InChI
InChI=1S/C15H19N3O3/c1-12(19)17-14-5-3-6-15(11-14)18(8-4-7-16)9-10-21-13(2)20/h3,5-6,11H,4,8-10H2,1-2H3,(H,17,19)
InChIKey
LLFYBLBUVUYAQU-UHFFFAOYSA-N
Compound name
2-[3-acetamido-N-(2-cyanoethyl)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.14264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 170.6
[M+Na]+ 312.13186 176.6
[M-H]- 288.13536 174.0
[M+NH4]+ 307.17646 184.1
[M+K]+ 328.10580 175.3
[M+H-H2O]+ 272.13990 156.1
[M+HCOO]- 334.14084 190.7
[M+CH3COO]- 348.15649 219.2
[M+Na-2H]- 310.11731 171.7
[M]+ 289.14209 168.4
[M]- 289.14319 168.4
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