CID 113132

Einecs 264-009-3

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
2
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]+ 262.155016 163.3
[M+Na]+ 284.136958 169.2
[M-H]- 260.140464 166.6
[M+NH4]+ 279.181563 177.9
[M+K]+ 300.110898 167.3
[M+H-H2O]+ 244.145000 148.8
[M+HCOO]- 306.145941 184.4
[M+CH3COO]- 320.161591 213.6
[M+Na-2H]- 282.122406 166.8
[M]+ 261.14719142 160.5
[M]- 261.14828858 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