CID 3675795

618443-86-0

Structural Information

Molecular Formula
C22H16ClNO3
SMILES
CC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)OC
InChI
InChI=1S/C22H16ClNO3/c1-13(25)18-12-21(22(26)14-3-6-16(23)7-4-14)24-19-10-8-17(27-2)11-15(19)5-9-20(18)24/h3-12H,1-2H3
InChIKey
HWFFKRFKFPGWSX-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorobenzoyl)-7-methoxypyrrolo[1,2-a]quinolin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08188 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08916 188.3
[M+Na]+ 400.07110 199.6
[M-H]- 376.07460 196.5
[M+NH4]+ 395.11570 203.7
[M+K]+ 416.04504 192.9
[M+H-H2O]+ 360.07914 180.2
[M+HCOO]- 422.08008 204.3
[M+CH3COO]- 436.09573 199.8
[M+Na-2H]- 398.05655 189.7
[M]+ 377.08133 196.1
[M]- 377.08243 196.1
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.