CID 4962348

54469-54-4

Structural Information

Molecular Formula
C10H7N3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CSC(=N3)N
InChI
InChI=1S/C10H7N3S2/c11-10-13-7(5-14-10)9-12-6-3-1-2-4-8(6)15-9/h1-5H,(H2,11,13)
InChIKey
VGQICENTKIUASP-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

233.00813 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.015406 144.3
[M+Na]+ 255.997348 158.2
[M-H]- 232.000854 151.0
[M+NH4]+ 251.041953 165.6
[M+K]+ 271.971288 152.8
[M+H-H2O]+ 216.005390 139.2
[M+HCOO]- 278.006331 160.9
[M+CH3COO]- 292.021981 158.7
[M+Na-2H]- 253.982796 146.4
[M]+ 233.00758142 148.4
[M]- 233.00867858 148.4
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