CID 113132

63216-95-5

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCNC(=O)OCCN(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C14H19N3O2/c1-2-16-14(18)19-12-11-17(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3,(H,16,18)
InChIKey
RQMOPOXAUBOEEP-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)anilino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 165.7
[M+Na]+ 284.13696 174.4
[M+NH4]+ 279.18156 168.8
[M+K]+ 300.11090 165.2
[M-H]- 260.14046 160.4
[M+Na-2H]- 282.12241 168.1
[M]+ 261.14719 164.3
[M]- 261.14829 164.3
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