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

literature stripe

Patent stripe

patents stripe