CID 3001443

5-me-3',5'-dimeo-hepu-s

Structural Information

Molecular Formula
C16H20N2O5S2
SMILES
CC1=C(N(C(=S)NC1=O)COCCO)SC2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C16H20N2O5S2/c1-10-14(20)17-16(24)18(9-23-5-4-19)15(10)25-13-7-11(21-2)6-12(8-13)22-3/h6-8,19H,4-5,9H2,1-3H3,(H,17,20,24)
InChIKey
QCZRPGSIFGZHAH-UHFFFAOYSA-N
Compound name
6-(3,5-dimethoxyphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08136 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08864 182.5
[M+Na]+ 407.07058 191.7
[M-H]- 383.07408 184.2
[M+NH4]+ 402.11518 191.5
[M+K]+ 423.04452 184.3
[M+H-H2O]+ 367.07862 174.4
[M+HCOO]- 429.07956 191.1
[M+CH3COO]- 443.09521 212.7
[M+Na-2H]- 405.05603 180.7
[M]+ 384.08081 190.1
[M]- 384.08191 190.1
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.