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 161.0
[M+Na]+ 307.05837 173.5
[M-H]- 283.06187 160.8
[M+NH4]+ 302.10297 174.3
[M+K]+ 323.03231 168.1
[M+H-H2O]+ 267.06641 153.9
[M+HCOO]- 329.06735 177.2
[M+CH3COO]- 343.08300 200.9
[M+Na-2H]- 305.04382 162.9
[M]+ 284.06860 165.4
[M]- 284.06970 165.4
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.