CID 4110783

302913-60-6

Structural Information

Molecular Formula
C19H13NO2S
SMILES
CC(=O)C1=C2C=CC3=CC=CC=C3N2C(=C1)C(=O)C4=CC=CS4
InChI
InChI=1S/C19H13NO2S/c1-12(21)14-11-17(19(22)18-7-4-10-23-18)20-15-6-3-2-5-13(15)8-9-16(14)20/h2-11H,1H3
InChIKey
BZXBFCMPPDWQIB-UHFFFAOYSA-N
Compound name
1-[1-(thiophene-2-carbonyl)pyrrolo[1,2-a]quinolin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0667 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07398 175.2
[M+Na]+ 342.05592 187.4
[M-H]- 318.05942 184.7
[M+NH4]+ 337.10052 194.9
[M+K]+ 358.02986 181.9
[M+H-H2O]+ 302.06396 169.3
[M+HCOO]- 364.06490 194.6
[M+CH3COO]- 378.08055 188.4
[M+Na-2H]- 340.04137 175.9
[M]+ 319.06615 182.9
[M]- 319.06725 182.9
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.