CID 1491867

Brn 5821800

Structural Information

Molecular Formula
C7H9N7OS
SMILES
C1=C(N=C(N2C1=NC=N2)SCC(=O)NN)N
InChI
InChI=1S/C7H9N7OS/c8-4-1-5-10-3-11-14(5)7(12-4)16-2-6(15)13-9/h1,3H,2,8-9H2,(H,13,15)
InChIKey
OFJYXXAVWUDFBB-UHFFFAOYSA-N
Compound name
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05893 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06621 145.9
[M+Na]+ 262.04815 156.5
[M-H]- 238.05165 145.9
[M+NH4]+ 257.09275 160.7
[M+K]+ 278.02209 152.2
[M+H-H2O]+ 222.05619 137.9
[M+HCOO]- 284.05713 164.2
[M+CH3COO]- 298.07278 157.6
[M+Na-2H]- 260.03360 151.4
[M]+ 239.05838 147.4
[M]- 239.05948 147.4
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.