CID 40941

53924-41-7

Structural Information

Molecular Formula
C24H19NO4
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C24H19NO4/c1-25-21-5-3-2-4-19(21)20(22(25)24(28)29)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)23(26)27/h2-13H,14H2,1H3,(H,26,27)(H,28,29)
InChIKey
CJWJTZOASDCUEV-UHFFFAOYSA-N
Compound name
3-[[4-(4-carboxyphenyl)phenyl]methyl]-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1314 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13868 192.6
[M+Na]+ 408.12062 208.2
[M+NH4]+ 403.16522 199.1
[M+K]+ 424.09456 202.7
[M-H]- 384.12412 197.4
[M+Na-2H]- 406.10607 200.6
[M]+ 385.13085 196.2
[M]- 385.13195 196.2
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.