CID 211318

3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C11H15ClN2O4S
SMILES
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)Cl
InChI
InChI=1S/C11H15ClN2O4S/c1-2-3-4-14-8-5-7(11(15)16)6-9(10(8)12)19(13,17)18/h5-6,14H,2-4H2,1H3,(H,15,16)(H2,13,17,18)
InChIKey
CNBZFYQGTRTWSM-UHFFFAOYSA-N
Compound name
3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

306.0441 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05138 167.0
[M+Na]+ 329.03332 175.6
[M+NH4]+ 324.07792 172.2
[M+K]+ 345.00726 170.1
[M-H]- 305.03682 166.6
[M+Na-2H]- 327.01877 169.5
[M]+ 306.04355 168.4
[M]- 306.04465 168.4
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