CID 134567

3735-59-9

Structural Information

Molecular Formula
C10H14N6O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=N)N
InChI
InChI=1S/C10H14N6O2S/c1-14-7-6(8(17)15(2)10(14)18)16(5-13-7)3-4-19-9(11)12/h5H,3-4H2,1-2H3,(H3,11,12)
InChIKey
MPIOQGPCHDFSHO-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0899 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09718 162.6
[M+Na]+ 305.07912 175.4
[M-H]- 281.08262 163.5
[M+NH4]+ 300.12372 176.9
[M+K]+ 321.05306 170.0
[M+H-H2O]+ 265.08716 155.1
[M+HCOO]- 327.08810 179.7
[M+CH3COO]- 341.10375 203.8
[M+Na-2H]- 303.06457 164.1
[M]+ 282.08935 167.7
[M]- 282.09045 167.7
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.