CID 988020

Ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate

Structural Information

Molecular Formula
C23H18FNO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)F)C=CC(=C3)C
InChI
InChI=1S/C23H18FNO3/c1-3-28-23(27)18-13-21(22(26)15-5-8-17(24)9-6-15)25-19-10-4-14(2)12-16(19)7-11-20(18)25/h4-13H,3H2,1-2H3
InChIKey
STLUHXLWVJUKME-UHFFFAOYSA-N
Compound name
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.12708 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13436 189.7
[M+Na]+ 398.11630 199.9
[M-H]- 374.11980 196.6
[M+NH4]+ 393.16090 204.3
[M+K]+ 414.09024 193.9
[M+H-H2O]+ 358.12434 180.0
[M+HCOO]- 420.12528 208.9
[M+CH3COO]- 434.14093 200.6
[M+Na-2H]- 396.10175 190.4
[M]+ 375.12653 194.3
[M]- 375.12763 194.3
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