CID 40936

53924-18-8

Structural Information

Molecular Formula
C23H17NO3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CN(C5=CC=CC=C54)CC(=O)O
InChI
InChI=1S/C23H17NO3/c25-22(26)14-24-13-18(15-7-1-4-10-19(15)24)23-16-8-2-5-11-20(16)27-21-12-6-3-9-17(21)23/h1-13,23H,14H2,(H,25,26)
InChIKey
ULQLJGAKYMDNPQ-UHFFFAOYSA-N
Compound name
2-[3-(9H-xanthen-9-yl)indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12813 182.6
[M+Na]+ 378.11007 191.9
[M-H]- 354.11357 190.5
[M+NH4]+ 373.15467 196.4
[M+K]+ 394.08401 186.2
[M+H-H2O]+ 338.11811 173.5
[M+HCOO]- 400.11905 199.4
[M+CH3COO]- 414.13470 193.2
[M+Na-2H]- 376.09552 187.5
[M]+ 355.12030 185.1
[M]- 355.12140 185.1
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.