CID 2818251

2-anilino-2-pyridin-3-ylpropanenitrile

Structural Information

Molecular Formula
C14H13N3
SMILES
CC(C#N)(C1=CN=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3/c1-14(11-15,12-6-5-9-16-10-12)17-13-7-3-2-4-8-13/h2-10,17H,1H3
InChIKey
HQAJLDUHPSSFDV-UHFFFAOYSA-N
Compound name
2-anilino-2-pyridin-3-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

223.11095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 156.7
[M+Na]+ 246.100168 165.0
[M-H]- 222.103674 160.1
[M+NH4]+ 241.144773 170.8
[M+K]+ 262.074108 159.6
[M+H-H2O]+ 206.108210 141.9
[M+HCOO]- 268.109151 175.1
[M+CH3COO]- 282.124801 202.3
[M+Na-2H]- 244.085616 164.3
[M]+ 223.11040142 149.6
[M]- 223.11149858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe