CID 3060315

Brn 5108655

Structural Information

Molecular Formula
C11H17N5O2S
SMILES
CC1=CC(=NC(=N1)SCC(=O)NN)N2CCOCC2
InChI
InChI=1S/C11H17N5O2S/c1-8-6-9(16-2-4-18-5-3-16)14-11(13-8)19-7-10(17)15-12/h6H,2-5,7,12H2,1H3,(H,15,17)
InChIKey
ZJYXLPLSAZCAHV-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1103 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11758 164.0
[M+Na]+ 306.09952 169.5
[M-H]- 282.10302 166.3
[M+NH4]+ 301.14412 173.9
[M+K]+ 322.07346 166.4
[M+H-H2O]+ 266.10756 154.5
[M+HCOO]- 328.10850 176.3
[M+CH3COO]- 342.12415 201.3
[M+Na-2H]- 304.08497 166.1
[M]+ 283.10975 161.8
[M]- 283.11085 161.8
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.