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 165.1
[M+Na]+ 289.13112 175.6
[M-H]- 265.13462 168.3
[M+NH4]+ 284.17572 178.4
[M+K]+ 305.10506 169.1
[M+H-H2O]+ 249.13916 150.9
[M+HCOO]- 311.14010 181.5
[M+CH3COO]- 325.15575 209.4
[M+Na-2H]- 287.11657 166.5
[M]+ 266.14135 160.1
[M]- 266.14245 160.1
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

No patent data available for this compound.