CID 92952960

3-[(thiophen-2-yl)methylidene]-1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C18H13NO2S
SMILES
C\1CC2=C(C3=CC=CC=C3N=C2/C1=C\C4=CC=CS4)C(=O)O
InChI
InChI=1S/C18H13NO2S/c20-18(21)16-13-5-1-2-6-15(13)19-17-11(7-8-14(16)17)10-12-4-3-9-22-12/h1-6,9-10H,7-8H2,(H,20,21)/b11-10-
InChIKey
WTCZJNWYQUOWKW-KHPPLWFESA-N
Compound name
(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07398 171.0
[M+Na]+ 330.05592 181.7
[M-H]- 306.05942 178.3
[M+NH4]+ 325.10052 190.5
[M+K]+ 346.02986 175.4
[M+H-H2O]+ 290.06396 165.5
[M+HCOO]- 352.06490 187.6
[M+CH3COO]- 366.08055 183.2
[M+Na-2H]- 328.04137 171.2
[M]+ 307.06615 174.4
[M]- 307.06725 174.4
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.