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 183.5
[M+Na]+ 378.11007 200.8
[M+NH4]+ 373.15467 192.8
[M+K]+ 394.08401 193.5
[M-H]- 354.11357 190.4
[M+Na-2H]- 376.09552 190.6
[M]+ 355.12030 188.2
[M]- 355.12140 188.2
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.