CID 11395145

Indeglitazar

Structural Information

Molecular Formula
C19H19NO6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O
InChI
InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
InChIKey
YMPALHOKRBVHOJ-UHFFFAOYSA-N
Compound name
3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1157
Patents

389.09332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10060 189.5
[M+Na]+ 412.08254 199.0
[M-H]- 388.08604 195.7
[M+NH4]+ 407.12714 202.4
[M+K]+ 428.05648 195.1
[M+H-H2O]+ 372.09058 182.4
[M+HCOO]- 434.09152 205.4
[M+CH3COO]- 448.10717 214.4
[M+Na-2H]- 410.06799 191.3
[M]+ 389.09277 199.2
[M]- 389.09387 199.2
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

patents stripe