CID 111686

68877-64-5

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCC#N)CC=C
InChI
InChI=1S/C14H17N3O/c1-3-9-17(10-5-8-15)14-7-4-6-13(11-14)16-12(2)18/h3-4,6-7,11H,1,5,9-10H2,2H3,(H,16,18)
InChIKey
LNLGQJSEGISOOY-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 161.6
[M+Na]+ 266.12638 171.1
[M+NH4]+ 261.17098 165.1
[M+K]+ 282.10032 161.6
[M-H]- 242.12988 156.7
[M+Na-2H]- 264.11183 164.2
[M]+ 243.13661 160.5
[M]- 243.13771 160.5
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