CID 51723

Brn 1599401

Structural Information

Molecular Formula
C23H19NO3
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C23H19NO3/c1-16-12-13-20-19(14-16)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)22(27)24(20)15-21(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKey
VRLSINZWMVEPRK-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-oxo-3,3-diphenylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1365 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 186.2
[M+Na]+ 380.12572 194.6
[M-H]- 356.12922 194.8
[M+NH4]+ 375.17032 201.2
[M+K]+ 396.09966 188.2
[M+H-H2O]+ 340.13376 177.0
[M+HCOO]- 402.13470 205.0
[M+CH3COO]- 416.15035 196.7
[M+Na-2H]- 378.11117 187.6
[M]+ 357.13595 186.6
[M]- 357.13705 186.6
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.