CID 60128

106287-95-0

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1=C(C2=C(N1)C(=CC=C2)C(=O)C3=CC=C(C=C3)OC)CC(=O)O
InChI
InChI=1S/C19H17NO4/c1-11-16(10-17(21)22)14-4-3-5-15(18(14)20-11)19(23)12-6-8-13(24-2)9-7-12/h3-9,20H,10H2,1-2H3,(H,21,22)
InChIKey
OZVQOKMMDTWWGF-UHFFFAOYSA-N
Compound name
2-[7-(4-methoxybenzoyl)-2-methyl-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 174.4
[M+Na]+ 346.104968 183.2
[M-H]- 322.108474 179.1
[M+NH4]+ 341.149573 188.7
[M+K]+ 362.078908 178.1
[M+H-H2O]+ 306.113010 166.9
[M+HCOO]- 368.113951 193.8
[M+CH3COO]- 382.129601 205.2
[M+Na-2H]- 344.090416 175.2
[M]+ 323.11520142 177.6
[M]- 323.11629858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.