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

8
Patents

165.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 127.8
[M+Na]+ 188.02529 139.4
[M-H]- 164.02879 131.6
[M+NH4]+ 183.06989 150.2
[M+K]+ 203.99923 135.2
[M+H-H2O]+ 148.03333 122.2
[M+HCOO]- 210.03427 149.5
[M+CH3COO]- 224.04992 142.5
[M+Na-2H]- 186.01074 133.3
[M]+ 165.03552 128.5
[M]- 165.03662 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