CID 2761133

7-{[(4-methoxyphenyl)sulfonyl]amino}-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C16H14N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2NC(=C3)C(=O)O
InChI
InChI=1S/C16H14N2O5S/c1-23-11-5-7-12(8-6-11)24(21,22)18-13-4-2-3-10-9-14(16(19)20)17-15(10)13/h2-9,17-18H,1H3,(H,19,20)
InChIKey
UJHWOZFZLVVMIX-UHFFFAOYSA-N
Compound name
7-[(4-methoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

346.06235 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.069626 176.0
[M+Na]+ 369.051568 185.0
[M-H]- 345.055074 180.9
[M+NH4]+ 364.096173 189.4
[M+K]+ 385.025508 180.0
[M+H-H2O]+ 329.059610 169.4
[M+HCOO]- 391.060551 192.3
[M+CH3COO]- 405.076201 205.1
[M+Na-2H]- 367.037016 180.2
[M]+ 346.06180142 180.5
[M]- 346.06289858 180.5
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

patents stripe