CID 3073365

1,3,5-triazin-3-amine, 4-cyclobutyl-n-cylopropyl-6-(4-thiomorpholinyl)-, s,s-dioxide, monohydrochloride

Structural Information

Molecular Formula
C14H21N5O2S
SMILES
C1CC(C1)C2=NC(=NC(=N2)N3CCS(=O)(=O)CC3)NC4CC4
InChI
InChI=1S/C14H21N5O2S/c20-22(21)8-6-19(7-9-22)14-17-12(10-2-1-3-10)16-13(18-14)15-11-4-5-11/h10-11H,1-9H2,(H,15,16,17,18)
InChIKey
VJXQBLPNWFBXOM-UHFFFAOYSA-N
Compound name
4-cyclobutyl-N-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.1416 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14888 171.5
[M+Na]+ 346.13082 180.1
[M+NH4]+ 341.17542 176.1
[M+K]+ 362.10476 174.1
[M-H]- 322.13432 179.5
[M+Na-2H]- 344.11627 179.5
[M]+ 323.14105 175.3
[M]- 323.14215 175.3
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