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]+ 340.117976 177.1
[M+Na]+ 362.099918 186.6
[M-H]- 338.103424 182.3
[M+NH4]+ 357.144523 191.0
[M+K]+ 378.073858 182.5
[M+H-H2O]+ 322.107960 169.7
[M+HCOO]- 384.108901 196.6
[M+CH3COO]- 398.124551 208.2
[M+Na-2H]- 360.085366 177.5
[M]+ 339.11015142 182.2
[M]- 339.11124858 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.