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

33
Patents

346.06235 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06963 176.0
[M+Na]+ 369.05157 185.0
[M-H]- 345.05507 180.9
[M+NH4]+ 364.09617 189.4
[M+K]+ 385.02551 180.0
[M+H-H2O]+ 329.05961 169.4
[M+HCOO]- 391.06055 192.3
[M+CH3COO]- 405.07620 205.1
[M+Na-2H]- 367.03702 180.2
[M]+ 346.06180 180.5
[M]- 346.06290 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