CID 53835

Brn 5052985

Structural Information

Molecular Formula
C9H15N5OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)NN)N(C)C
InChI
InChI=1S/C9H15N5OS/c1-6-4-7(14(2)3)12-9(11-6)16-5-8(15)13-10/h4H,5,10H2,1-3H3,(H,13,15)
InChIKey
PTHGEWDXMWULBL-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10701 153.2
[M+Na]+ 264.08895 160.2
[M-H]- 240.09245 155.5
[M+NH4]+ 259.13355 168.4
[M+K]+ 280.06289 157.8
[M+H-H2O]+ 224.09699 144.8
[M+HCOO]- 286.09793 172.0
[M+CH3COO]- 300.11358 201.8
[M+Na-2H]- 262.07440 155.4
[M]+ 241.09918 154.9
[M]- 241.10028 154.9
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.