CID 6410628

Brn 5733615

Structural Information

Molecular Formula
C7H7N3S
SMILES
CC1=CC2=C(N=C(S2)C)N=N1
InChI
InChI=1S/C7H7N3S/c1-4-3-6-7(10-9-4)8-5(2)11-6/h3H,1-2H3
InChIKey
XVONJGHAFGOQDF-UHFFFAOYSA-N
Compound name
3,6-dimethyl-[1,3]thiazolo[4,5-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.03607 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 129.5
[M+Na]+ 188.02529 143.1
[M-H]- 164.02879 131.7
[M+NH4]+ 183.06989 150.6
[M+K]+ 203.99923 139.8
[M+H-H2O]+ 148.03333 123.2
[M+HCOO]- 210.03427 148.0
[M+CH3COO]- 224.04992 144.5
[M+Na-2H]- 186.01074 135.3
[M]+ 165.03552 134.6
[M]- 165.03662 134.6
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.