CID 135744258

2-(2-dimethylaminobenzyl)thio-6-methyl-4(3h)-pyrimidinone

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC1=CC(=O)NC(=N1)SCC2=CC=CC=C2N(C)C
InChI
InChI=1S/C14H17N3OS/c1-10-8-13(18)16-14(15-10)19-9-11-6-4-5-7-12(11)17(2)3/h4-8H,9H2,1-3H3,(H,15,16,18)
InChIKey
VISKAOXEWLBHES-UHFFFAOYSA-N
Compound name
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

275.10922 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 161.6
[M+Na]+ 298.09844 170.4
[M-H]- 274.10194 166.2
[M+NH4]+ 293.14304 175.7
[M+K]+ 314.07238 165.2
[M+H-H2O]+ 258.10648 152.9
[M+HCOO]- 320.10742 178.6
[M+CH3COO]- 334.12307 201.5
[M+Na-2H]- 296.08389 164.0
[M]+ 275.10867 164.4
[M]- 275.10977 164.4
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