CID 145915

88594-78-9

Structural Information

Molecular Formula
C14H9N3O
SMILES
CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H9N3O/c1-9-13(6-12(8-16)14(18)17-9)11-4-2-10(7-15)3-5-11/h2-6H,1H3,(H,17,18)
InChIKey
NMIRAZSAZYNODX-UHFFFAOYSA-N
Compound name
5-(4-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

235.07455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08183 165.6
[M+Na]+ 258.06377 176.8
[M-H]- 234.06727 168.5
[M+NH4]+ 253.10837 175.8
[M+K]+ 274.03771 170.6
[M+H-H2O]+ 218.07181 149.2
[M+HCOO]- 280.07275 176.7
[M+CH3COO]- 294.08840 220.0
[M+Na-2H]- 256.04922 166.6
[M]+ 235.07400 156.7
[M]- 235.07510 156.7
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