CID 36278

Brn 1603423

Structural Information

Molecular Formula
C23H19NO4
SMILES
COC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C23H19NO4/c1-28-18-12-13-20-19(14-18)23(16-8-4-2-5-9-16,17-10-6-3-7-11-17)22(27)24(20)15-21(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKey
UZMOQZOCTYLGDW-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2-oxo-3,3-diphenylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 189.1
[M+Na]+ 396.12062 197.2
[M-H]- 372.12412 197.7
[M+NH4]+ 391.16522 203.3
[M+K]+ 412.09456 191.6
[M+H-H2O]+ 356.12866 179.7
[M+HCOO]- 418.12960 208.0
[M+CH3COO]- 432.14525 199.3
[M+Na-2H]- 394.10607 190.7
[M]+ 373.13085 190.8
[M]- 373.13195 190.8
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.