CID 6516999

726157-23-9

Structural Information

Molecular Formula
C26H19NO3
SMILES
C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C26H19NO3/c28-26(29)24-21-11-4-5-12-23(21)27-25-18(13-14-22(24)25)15-17-7-6-10-20(16-17)30-19-8-2-1-3-9-19/h1-12,15-16H,13-14H2,(H,28,29)/b18-15+
InChIKey
QSWDAWGZMHQXGM-OBGWFSINSA-N
Compound name
(3E)-3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1365 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14378 195.1
[M+Na]+ 416.12572 201.9
[M-H]- 392.12922 203.7
[M+NH4]+ 411.17032 207.0
[M+K]+ 432.09966 194.4
[M+H-H2O]+ 376.13376 184.7
[M+HCOO]- 438.13470 212.1
[M+CH3COO]- 452.15035 204.0
[M+Na-2H]- 414.11117 196.4
[M]+ 393.13595 194.3
[M]- 393.13705 194.3
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.