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]+ 267.149176 165.1
[M+Na]+ 289.131118 175.6
[M-H]- 265.134624 168.3
[M+NH4]+ 284.175723 178.4
[M+K]+ 305.105058 169.1
[M+H-H2O]+ 249.139160 150.9
[M+HCOO]- 311.140101 181.5
[M+CH3COO]- 325.155751 209.4
[M+Na-2H]- 287.116566 166.5
[M]+ 266.14135142 160.1
[M]- 266.14244858 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.