CID 43451390

Benzo[d]thiazole-4,5-diamine

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC2=C(C(=C1N)N)N=CS2
InChI
InChI=1S/C7H7N3S/c8-4-1-2-5-7(6(4)9)10-3-11-5/h1-3H,8-9H2
InChIKey
NOAVWRBHJBZYHD-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 127.8
[M+Na]+ 188.025288 139.4
[M-H]- 164.028794 131.6
[M+NH4]+ 183.069893 150.2
[M+K]+ 203.999228 135.2
[M+H-H2O]+ 148.033330 122.2
[M+HCOO]- 210.034271 149.5
[M+CH3COO]- 224.049921 142.5
[M+Na-2H]- 186.010736 133.3
[M]+ 165.03552142 128.5
[M]- 165.03661858 128.5
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

patents stripe