CID 116641

64611-87-6

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(CCC#N)CC=C
InChI
InChI=1S/C15H19N3O2/c1-4-9-18(10-5-8-16)14-11-13(17-12(2)19)6-7-15(14)20-3/h4,6-7,11H,1,5,9-10H2,2-3H3,(H,17,19)
InChIKey
KMMWJCUYQJFHNH-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

273.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 167.0
[M+Na]+ 296.13696 176.2
[M+NH4]+ 291.18156 169.8
[M+K]+ 312.11090 167.2
[M-H]- 272.14046 161.6
[M+Na-2H]- 294.12241 168.8
[M]+ 273.14719 165.7
[M]- 273.14829 165.7
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