CID 510589

[4-(2-methyl-1,1-dioxo-3h-1,2-benzothiazol-3-yl)phenyl]carbamic acid

Structural Information

Molecular Formula
C15H14N2O4S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)NC(=O)O
InChI
InChI=1S/C15H14N2O4S/c1-17-14(10-6-8-11(9-7-10)16-15(18)19)12-4-2-3-5-13(12)22(17,20)21/h2-9,14,16H,1H3,(H,18,19)
InChIKey
PLIFNYYYEFPZHW-UHFFFAOYSA-N
Compound name
[4-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0674 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07468 168.4
[M+Na]+ 341.05662 178.4
[M-H]- 317.06012 174.4
[M+NH4]+ 336.10122 186.0
[M+K]+ 357.03056 173.6
[M+H-H2O]+ 301.06466 162.3
[M+HCOO]- 363.06560 185.0
[M+CH3COO]- 377.08125 202.5
[M+Na-2H]- 339.04207 171.2
[M]+ 318.06685 171.5
[M]- 318.06795 171.5
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

No patent data available for this compound.