CID 111686

3-((2-cyanoethyl)allylamino)acetanilide

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 160.9
[M+Na]+ 266.12638 167.9
[M-H]- 242.12988 164.6
[M+NH4]+ 261.17098 176.3
[M+K]+ 282.10032 165.0
[M+H-H2O]+ 226.13442 147.0
[M+HCOO]- 288.13536 181.9
[M+CH3COO]- 302.15101 212.6
[M+Na-2H]- 264.11183 163.6
[M]+ 243.13661 156.6
[M]- 243.13771 156.6
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