CID 5714958

2-(2-thienylmethylenehydrazino)benzothiazole

Structural Information

Molecular Formula
C12H9N3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)N/N=C\C3=CC=CS3
InChI
InChI=1S/C12H9N3S2/c1-2-6-11-10(5-1)14-12(17-11)15-13-8-9-4-3-7-16-9/h1-8H,(H,14,15)/b13-8-
InChIKey
YHGVHRFSRANAMU-JYRVWZFOSA-N
Compound name
N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0238 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03108 152.2
[M+Na]+ 282.01302 164.2
[M-H]- 258.01652 161.2
[M+NH4]+ 277.05762 173.9
[M+K]+ 297.98696 158.8
[M+H-H2O]+ 242.02106 146.3
[M+HCOO]- 304.02200 172.5
[M+CH3COO]- 318.03765 166.4
[M+Na-2H]- 279.99847 156.3
[M]+ 259.02325 157.3
[M]- 259.02435 157.3
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.