CID 9556270

Nsc683903

Structural Information

Molecular Formula
C13H11N3S2
SMILES
CC1=C(SC=C1)/C=N/NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H11N3S2/c1-9-6-7-17-12(9)8-14-16-13-15-10-4-2-3-5-11(10)18-13/h2-8H,1H3,(H,15,16)/b14-8+
InChIKey
ZRMZMTYKLUGUOI-RIYZIHGNSA-N
Compound name
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.03943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04671 157.1
[M+Na]+ 296.02865 169.3
[M-H]- 272.03215 166.3
[M+NH4]+ 291.07325 178.5
[M+K]+ 312.00259 163.7
[M+H-H2O]+ 256.03669 151.2
[M+HCOO]- 318.03763 176.9
[M+CH3COO]- 332.05328 171.1
[M+Na-2H]- 294.01410 160.0
[M]+ 273.03888 162.9
[M]- 273.03998 162.9
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.