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 164.9
[M+Na]+ 314.07876 179.0
[M+NH4]+ 309.12336 173.2
[M+K]+ 330.05270 175.7
[M-H]- 290.08226 169.4
[M+Na-2H]- 312.06421 170.4
[M]+ 291.08899 168.2
[M]- 291.09009 168.2
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.