CID 21504

5407-51-2

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC2=C(C=C1N)SC(=N2)N
InChI
InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
InChIKey
HYBCFWFWKXJYFT-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

327
Patents

165.03607 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 128.7
[M+Na]+ 188.02529 140.7
[M+NH4]+ 183.06989 138.5
[M+K]+ 203.99923 134.6
[M-H]- 164.02879 132.2
[M+Na-2H]- 186.01074 135.3
[M]+ 165.03552 131.7
[M]- 165.03662 131.7
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