CID 24700711

304650-02-0

Structural Information

Molecular Formula
C13H9N3O
SMILES
C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H9N3O/c14-9-10-5-1-2-6-11(10)16-13(17)12-7-3-4-8-15-12/h1-8H,(H,16,17)
InChIKey
CMOBXBANKIGTSJ-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

223.07455 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 153.4
[M+Na]+ 246.06377 162.5
[M-H]- 222.06727 157.0
[M+NH4]+ 241.10837 167.5
[M+K]+ 262.03771 157.3
[M+H-H2O]+ 206.07181 138.3
[M+HCOO]- 268.07275 173.0
[M+CH3COO]- 282.08840 201.5
[M+Na-2H]- 244.04922 159.2
[M]+ 223.07400 146.8
[M]- 223.07510 146.8
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

No patent data available for this compound.