CID 516435

6-isopropyl-1-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-one

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC(C)C1=CC2=C(C=C1)N(C(=CC2=O)C3=CC=CN3C)C
InChI
InChI=1S/C18H20N2O/c1-12(2)13-7-8-15-14(10-13)18(21)11-17(20(15)4)16-6-5-9-19(16)3/h5-12H,1-4H3
InChIKey
VTOYVUPIVVGEJM-UHFFFAOYSA-N
Compound name
1-methyl-2-(1-methylpyrrol-2-yl)-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.9
[M+Na]+ 303.146778 177.7
[M-H]- 279.150284 172.4
[M+NH4]+ 298.191383 183.0
[M+K]+ 319.120718 172.2
[M+H-H2O]+ 263.154820 157.7
[M+HCOO]- 325.155761 187.6
[M+CH3COO]- 339.171411 178.9
[M+Na-2H]- 301.132226 168.2
[M]+ 280.15701142 170.5
[M]- 280.15810858 170.5
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.