CID 3001063

4(1h)-pyrimidinone, 1-(ethoxymethyl)-2,3-dihydro-5-(1-methylethyl)-6-(phenylseleno)-2-thioxo-

Structural Information

Molecular Formula
C16H20N2O2SSe
SMILES
CCOCN1C(=C(C(=O)NC1=S)C(C)C)[Se]C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O2SSe/c1-4-20-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)21/h5-9,11H,4,10H2,1-3H3,(H,17,19,21)
InChIKey
LLMUKDYVAZVVET-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-phenylselanyl-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.04108 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04836 185.2
[M+Na]+ 407.03030 193.5
[M-H]- 383.03380 187.8
[M+NH4]+ 402.07490 196.6
[M+K]+ 423.00424 186.7
[M+H-H2O]+ 367.03834 176.0
[M+HCOO]- 429.03928 198.3
[M+CH3COO]- 443.05493 207.8
[M+Na-2H]- 405.01575 183.2
[M]+ 384.04053 189.0
[M]- 384.04163 189.0
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

patents stripe