CID 3074005

Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-

Structural Information

Molecular Formula
C12H19N3OS
SMILES
CC1=CC(=NC(=N1)SC(C)C)N2CCOCC2
InChI
InChI=1S/C12H19N3OS/c1-9(2)17-12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
BMTDLTSXPWPKTK-UHFFFAOYSA-N
Compound name
4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13216 157.8
[M+Na]+ 276.11410 164.5
[M-H]- 252.11760 160.6
[M+NH4]+ 271.15870 170.2
[M+K]+ 292.08804 162.1
[M+H-H2O]+ 236.12214 148.9
[M+HCOO]- 298.12308 168.1
[M+CH3COO]- 312.13873 194.1
[M+Na-2H]- 274.09955 158.9
[M]+ 253.12433 157.8
[M]- 253.12543 157.8
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

No patent data available for this compound.