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]+ 324.12303 174.4
[M+Na]+ 346.10497 183.2
[M-H]- 322.10847 179.1
[M+NH4]+ 341.14957 188.7
[M+K]+ 362.07891 178.1
[M+H-H2O]+ 306.11301 166.9
[M+HCOO]- 368.11395 193.8
[M+CH3COO]- 382.12960 205.2
[M+Na-2H]- 344.09042 175.2
[M]+ 323.11520 177.6
[M]- 323.11630 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.