CID 43088

59823-59-5

Structural Information

Molecular Formula
C18H15ClN2O4
SMILES
CC1=C(C2=C(N1C(=O)C3=C(N=CC=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C18H15ClN2O4/c1-10-13(9-16(22)23)14-8-11(25-2)5-6-15(14)21(10)18(24)12-4-3-7-20-17(12)19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKey
JQDZKYIVQKIBMZ-UHFFFAOYSA-N
Compound name
2-[1-(2-chloropyridine-3-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 179.7
[M+Na]+ 381.06124 191.1
[M-H]- 357.06474 184.9
[M+NH4]+ 376.10584 193.2
[M+K]+ 397.03518 185.4
[M+H-H2O]+ 341.06928 172.0
[M+HCOO]- 403.07022 195.0
[M+CH3COO]- 417.08587 211.5
[M+Na-2H]- 379.04669 180.4
[M]+ 358.07147 187.5
[M]- 358.07257 187.5
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.