CID 3038047

14943-05-6

Structural Information

Molecular Formula
C15H23N3O3S2
SMILES
CCCSS/C(=C(/C)\N(CC1=CN=C(NC1=O)C)C=O)/CCO
InChI
InChI=1S/C15H23N3O3S2/c1-4-7-22-23-14(5-6-19)11(2)18(10-20)9-13-8-16-12(3)17-15(13)21/h8,10,19H,4-7,9H2,1-3H3,(H,16,17,21)/b14-11-
InChIKey
DQIZVZHKTCHLLB-KAMYIIQDSA-N
Compound name
N-[(Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11807 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12535 179.5
[M+Na]+ 380.10729 184.0
[M-H]- 356.11079 177.9
[M+NH4]+ 375.15189 189.2
[M+K]+ 396.08123 177.8
[M+H-H2O]+ 340.11533 171.4
[M+HCOO]- 402.11627 185.9
[M+CH3COO]- 416.13192 212.9
[M+Na-2H]- 378.09274 175.9
[M]+ 357.11752 183.5
[M]- 357.11862 183.5
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.