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]+ 292.096816 165.1
[M+Na]+ 314.078758 175.0
[M-H]- 290.082264 172.8
[M+NH4]+ 309.123363 182.8
[M+K]+ 330.052698 170.4
[M+H-H2O]+ 274.086800 158.7
[M+HCOO]- 336.087741 185.5
[M+CH3COO]- 350.103391 177.7
[M+Na-2H]- 312.064206 168.1
[M]+ 291.08899142 167.4
[M]- 291.09008858 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.