CID 4129711

302913-61-7

Structural Information

Molecular Formula
C20H15NO3S
SMILES
CCOC(=O)C1=C2C=CC3=CC=CC=C3N2C(=C1)C(=O)C4=CC=CS4
InChI
InChI=1S/C20H15NO3S/c1-2-24-20(23)14-12-17(19(22)18-8-5-11-25-18)21-15-7-4-3-6-13(15)9-10-16(14)21/h3-12H,2H2,1H3
InChIKey
CPDYZNPGVDQQNF-UHFFFAOYSA-N
Compound name
ethyl 1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.07727 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08455 183.3
[M+Na]+ 372.06649 194.8
[M-H]- 348.06999 192.6
[M+NH4]+ 367.11109 201.6
[M+K]+ 388.04043 189.8
[M+H-H2O]+ 332.07453 177.1
[M+HCOO]- 394.07547 202.5
[M+CH3COO]- 408.09112 195.8
[M+Na-2H]- 370.05194 183.7
[M]+ 349.07672 192.6
[M]- 349.07782 192.6
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.