CID 16090637

2-methyl-3-(propan-2-yl)-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1)C(C)C
InChI
InChI=1S/C13H15NO/c1-8(2)12-9(3)14-11-7-5-4-6-10(11)13(12)15/h4-8H,1-3H3,(H,14,15)
InChIKey
AJDNYHSBEVKAHY-UHFFFAOYSA-N
Compound name
2-methyl-3-propan-2-yl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

201.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 143.3
[M+Na]+ 224.10459 152.9
[M-H]- 200.10809 145.8
[M+NH4]+ 219.14919 162.2
[M+K]+ 240.07853 148.6
[M+H-H2O]+ 184.11263 137.1
[M+HCOO]- 246.11357 163.0
[M+CH3COO]- 260.12922 186.4
[M+Na-2H]- 222.09004 148.9
[M]+ 201.11482 143.4
[M]- 201.11592 143.4
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

patents stripe