CID 6177031

22311-77-9

Structural Information

Molecular Formula
C18H13NO3
SMILES
C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CO4)C(=O)O
InChI
InChI=1S/C18H13NO3/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
XKJDVMNUZMIEAT-ZHACJKMWSA-N
Compound name
(3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 165.1
[M+Na]+ 314.07876 175.0
[M-H]- 290.08226 172.8
[M+NH4]+ 309.12336 182.8
[M+K]+ 330.05270 170.4
[M+H-H2O]+ 274.08680 158.7
[M+HCOO]- 336.08774 185.5
[M+CH3COO]- 350.10339 177.7
[M+Na-2H]- 312.06421 168.1
[M]+ 291.08899 167.4
[M]- 291.09009 167.4
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.