CID 41215

N-salicyloyl-2-methyl-5-methoxy-3-indolylacetic acid

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=CC=C3O)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H17NO5/c1-11-14(10-18(22)23)15-9-12(25-2)7-8-16(15)20(11)19(24)13-5-3-4-6-17(13)21/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKey
GRMRQLKCYWGDJZ-UHFFFAOYSA-N
Compound name
2-[1-(2-hydroxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 177.1
[M+Na]+ 362.09992 186.6
[M-H]- 338.10342 182.3
[M+NH4]+ 357.14452 191.0
[M+K]+ 378.07386 182.5
[M+H-H2O]+ 322.10796 169.7
[M+HCOO]- 384.10890 196.6
[M+CH3COO]- 398.12455 208.2
[M+Na-2H]- 360.08537 177.5
[M]+ 339.11015 182.2
[M]- 339.11125 182.2
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.