CID 460837

Pyrido[[?]:[?]]thieno[[?]]triazin-4-ylhydrazine

Structural Information

Molecular Formula
C8H6N6S
SMILES
C1=CC2=C(N=C1)SC3=C2N=NN=C3NN
InChI
InChI=1S/C8H6N6S/c9-11-7-6-5(12-14-13-7)4-2-1-3-10-8(4)15-6/h1-3H,9H2,(H,11,12,13)
InChIKey
GZFDYVLPGXMNAI-UHFFFAOYSA-N
Compound name
8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.03746 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04474 138.7
[M+Na]+ 241.02668 151.7
[M-H]- 217.03018 140.1
[M+NH4]+ 236.07128 156.2
[M+K]+ 257.00062 146.4
[M+H-H2O]+ 201.03472 131.3
[M+HCOO]- 263.03566 157.1
[M+CH3COO]- 277.05131 151.9
[M+Na-2H]- 239.01213 148.2
[M]+ 218.03691 141.5
[M]- 218.03801 141.5
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

No patent data available for this compound.