CID 117975

Propanenitrile, 3-[[2-(2-cyanoethoxy)ethyl]phenylamino]-

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1=CC=C(C=C1)N(CCC#N)CCOCCC#N
InChI
InChI=1S/C14H17N3O/c15-8-4-10-17(11-13-18-12-5-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,10-13H2
InChIKey
AEMNOPYAEDEKIP-UHFFFAOYSA-N
Compound name
3-[N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 163.2
[M+Na]+ 266.12638 170.8
[M-H]- 242.12988 166.5
[M+NH4]+ 261.17098 174.5
[M+K]+ 282.10032 167.6
[M+H-H2O]+ 226.13442 146.9
[M+HCOO]- 288.13536 176.4
[M+CH3COO]- 302.15101 225.7
[M+Na-2H]- 264.11183 165.2
[M]+ 243.13661 157.1
[M]- 243.13771 157.1
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