CID 40821

Fendosal

Structural Information

Molecular Formula
C25H19NO3
SMILES
C1CC2=C(C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)
InChIKey
HAWWPSYXSLJRBO-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

11334
Patents

381.1365 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.143776 191.1
[M+Na]+ 404.125718 198.6
[M-H]- 380.129224 199.1
[M+NH4]+ 399.170323 203.2
[M+K]+ 420.099658 191.1
[M+H-H2O]+ 364.133760 181.6
[M+HCOO]- 426.134701 206.8
[M+CH3COO]- 440.150351 200.2
[M+Na-2H]- 402.111166 192.1
[M]+ 381.13595142 189.7
[M]- 381.13704858 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe