CID 60948

150975-95-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O

InChI

InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-2-3-8-6(4-7)5-9(11-8)10(13)14/h2-5,11-12H,1H3,(H,13,14)

InChIKey

AHXMYKDPQPQFMW-UHFFFAOYSA-N

Compound name

5-(methanesulfonamido)-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 254.03613 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.043406	152.1
[M+Na]+	277.025348	162.0
[M-H]-	253.028854	153.9
[M+NH4]+	272.069953	169.7
[M+K]+	292.999288	157.7
[M+H-H2O]+	237.033390	147.0
[M+HCOO]-	299.034331	168.7
[M+CH3COO]-	313.049981	187.4
[M+Na-2H]-	275.010796	156.9
[M]+	254.03558142	155.1
[M]-	254.03667858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe