CID 3273750

618443-85-9

Structural Information

Molecular Formula
C22H16FNO3
SMILES
CC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)F)C=CC(=C3)OC
InChI
InChI=1S/C22H16FNO3/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
FPRDWAXXJKCYMR-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorobenzoyl)-7-methoxypyrrolo[1,2-a]quinolin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11142 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11870 184.7
[M+Na]+ 384.10064 195.3
[M-H]- 360.10414 191.8
[M+NH4]+ 379.14524 199.8
[M+K]+ 400.07458 189.5
[M+H-H2O]+ 344.10868 175.2
[M+HCOO]- 406.10962 204.3
[M+CH3COO]- 420.12527 196.0
[M+Na-2H]- 382.08609 186.0
[M]+ 361.11087 189.1
[M]- 361.11197 189.1
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.