CID 3003531

63732-03-6

Structural Information

Molecular Formula
C15H21N3S
SMILES
CC1=CC(NC(=S)N1C2=CC=C(C=C2)N(C)C)(C)C
InChI
InChI=1S/C15H21N3S/c1-11-10-15(2,3)16-14(19)18(11)13-8-6-12(7-9-13)17(4)5/h6-10H,1-5H3,(H,16,19)
InChIKey
GEBOTSFFGIIAOU-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

275.14563 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 162.1
[M+Na]+ 298.13485 170.3
[M-H]- 274.13835 166.4
[M+NH4]+ 293.17945 178.5
[M+K]+ 314.10879 165.5
[M+H-H2O]+ 258.14289 154.6
[M+HCOO]- 320.14383 175.7
[M+CH3COO]- 334.15948 203.7
[M+Na-2H]- 296.12030 162.9
[M]+ 275.14508 162.0
[M]- 275.14618 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.