CID 53836

Brn 5108725

Structural Information

Molecular Formula
C15H27N5OS
SMILES
CCCCN(CCCC)C1=NC(=NC(=C1)C)SCC(=O)NN
InChI
InChI=1S/C15H27N5OS/c1-4-6-8-20(9-7-5-2)13-10-12(3)17-15(18-13)22-11-14(21)19-16/h10H,4-9,11,16H2,1-3H3,(H,19,21)
InChIKey
KLGFJNJXNQWFKF-UHFFFAOYSA-N
Compound name
2-[4-(dibutylamino)-6-methylpyrimidin-2-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19363 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.20091 178.6
[M+Na]+ 348.18285 182.9
[M-H]- 324.18635 179.7
[M+NH4]+ 343.22745 190.4
[M+K]+ 364.15679 179.2
[M+H-H2O]+ 308.19089 169.0
[M+HCOO]- 370.19183 195.4
[M+CH3COO]- 384.20748 219.7
[M+Na-2H]- 346.16830 178.1
[M]+ 325.19308 182.4
[M]- 325.19418 182.4
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.