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

5
Patents

273.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 166.6
[M+Na]+ 296.136958 173.8
[M-H]- 272.140464 170.5
[M+NH4]+ 291.181563 181.1
[M+K]+ 312.110898 171.5
[M+H-H2O]+ 256.145000 152.5
[M+HCOO]- 318.145941 187.5
[M+CH3COO]- 332.161591 218.2
[M+Na-2H]- 294.122406 168.3
[M]+ 273.14719142 164.2
[M]- 273.14828858 164.2
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