CID 15957710

Schembl6086384

Structural Information

Molecular Formula
C23H26N2O3S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=CC(=CC=C3)OC)C(C)C)C
InChI
InChI=1S/C23H26N2O3S/c1-14(2)20-21(26)24-23(27)25(13-17-7-6-8-18(12-17)28-5)22(20)29-19-10-15(3)9-16(4)11-19/h6-12,14H,13H2,1-5H3,(H,24,26,27)
InChIKey
ZINGSCYLVUGQOY-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)sulfanyl-1-[(3-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

410.1664 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17368 198.4
[M+Na]+ 433.15562 208.0
[M-H]- 409.15912 205.1
[M+NH4]+ 428.20022 206.8
[M+K]+ 449.12956 200.6
[M+H-H2O]+ 393.16366 188.3
[M+HCOO]- 455.16460 211.6
[M+CH3COO]- 469.18025 225.3
[M+Na-2H]- 431.14107 195.3
[M]+ 410.16585 204.2
[M]- 410.16695 204.2
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