CID 510588

4-(2-methyl-1,1-dioxo-3h-1,2-benzothiazol-3-yl)aniline

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H14N2O2S/c1-16-14(10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)19(16,17)18/h2-9,14H,15H2,1H3
InChIKey
LQZTZBBRDKQGQE-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 158.6
[M+Na]+ 297.06682 170.2
[M-H]- 273.07032 165.7
[M+NH4]+ 292.11142 178.9
[M+K]+ 313.04076 164.8
[M+H-H2O]+ 257.07486 152.3
[M+HCOO]- 319.07580 177.0
[M+CH3COO]- 333.09145 171.7
[M+Na-2H]- 295.05227 161.7
[M]+ 274.07705 160.8
[M]- 274.07815 160.8
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.