CID 43090

59823-61-9

Structural Information

Molecular Formula
C18H15ClN2O4
SMILES
CC1=C(C2=C(N1C(=O)C3=NC=CC(=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C18H15ClN2O4/c1-10-13(9-17(22)23)14-8-12(25-2)3-4-16(14)21(10)18(24)15-7-11(19)5-6-20-15/h3-8H,9H2,1-2H3,(H,22,23)
InChIKey
CBIDMJAXHRNQDR-UHFFFAOYSA-N
Compound name
2-[1-(4-chloropyridine-2-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.07202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07930 180.1
[M+Na]+ 381.06124 195.2
[M+NH4]+ 376.10584 186.3
[M+K]+ 397.03518 190.7
[M-H]- 357.06474 181.9
[M+Na-2H]- 379.04669 185.9
[M]+ 358.07147 183.0
[M]- 358.07257 183.0
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.