CID 4298462

477320-32-4

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)CC(C)C)C#N
InChI
InChI=1S/C17H18N2O/c1-11(2)8-13-4-6-14(7-5-13)16-9-12(3)15(10-18)17(20)19-16/h4-7,9,11H,8H2,1-3H3,(H,19,20)
InChIKey
RTVSKNKXIRIDDC-UHFFFAOYSA-N
Compound name
4-methyl-6-[4-(2-methylpropyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 163.0
[M+Na]+ 289.13112 177.1
[M+NH4]+ 284.17572 167.2
[M+K]+ 305.10506 166.6
[M-H]- 265.13462 159.1
[M+Na-2H]- 287.11657 167.9
[M]+ 266.14135 163.2
[M]- 266.14245 163.2
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.