CID 3075765

Thieno(2,3-d)pyrimidine-2,4(1h,3h)-dione, 3-butyl-1-((3-chlorophenyl)methyl)-5,6-dimethyl-

Structural Information

Molecular Formula
C19H21ClN2O2S
SMILES
CCCCN1C(=O)C2=C(N(C1=O)CC3=CC(=CC=C3)Cl)SC(=C2C)C
InChI
InChI=1S/C19H21ClN2O2S/c1-4-5-9-21-17(23)16-12(2)13(3)25-18(16)22(19(21)24)11-14-7-6-8-15(20)10-14/h6-8,10H,4-5,9,11H2,1-3H3
InChIKey
LZINPFKMVJPXLK-UHFFFAOYSA-N
Compound name
3-butyl-1-[(3-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

376.10123 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10851 189.7
[M+Na]+ 399.09045 207.0
[M+NH4]+ 394.13505 197.7
[M+K]+ 415.06439 197.1
[M-H]- 375.09395 193.6
[M+Na-2H]- 397.07590 195.8
[M]+ 376.10068 194.3
[M]- 376.10178 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.