CID 2368660

2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]acetohydrazide

Structural Information

Molecular Formula
C9H12N6O3S
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NN
InChI
InChI=1S/C9H12N6O3S/c1-14-6-5(7(17)15(2)9(14)18)11-8(12-6)19-3-4(16)13-10/h3,10H2,1-2H3,(H,11,12)(H,13,16)
InChIKey
WBIHTQVVKNCPEI-UHFFFAOYSA-N
Compound name
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

284.06915 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07643 162.5
[M+Na]+ 307.05837 172.4
[M+NH4]+ 302.10297 166.3
[M+K]+ 323.03231 169.4
[M-H]- 283.06187 160.8
[M+Na-2H]- 305.04382 164.0
[M]+ 284.06860 163.3
[M]- 284.06970 163.3
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.