CID 5418621

Nsc671373

Structural Information

Molecular Formula
C15H15N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/N(C3=CC=CC=C3S2)C
InChI
InChI=1S/C15H15N3O2S2/c1-11-7-9-12(10-8-11)22(19,20)17-16-15-18(2)13-5-3-4-6-14(13)21-15/h3-10,17H,1-2H3/b16-15-
InChIKey
DBPQNNBERNJYOS-NXVVXOECSA-N
Compound name
4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

333.06058 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06786 174.7
[M+Na]+ 356.04980 186.3
[M-H]- 332.05330 183.2
[M+NH4]+ 351.09440 191.4
[M+K]+ 372.02374 179.7
[M+H-H2O]+ 316.05784 167.8
[M+HCOO]- 378.05878 191.7
[M+CH3COO]- 392.07443 187.0
[M+Na-2H]- 354.03525 179.8
[M]+ 333.06003 180.7
[M]- 333.06113 180.7
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.