CID 3073376

1,3,5-triazin-2-amine, n,4-dicyclopropyl-6-(4-thiomorpholinyl)-, 2,2-dioxide

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
C1CC1C2=NC(=NC(=N2)N3CCS(=O)(=O)CC3)NC4CC4
InChI
InChI=1S/C13H19N5O2S/c19-21(20)7-5-18(6-8-21)13-16-11(9-1-2-9)15-12(17-13)14-10-3-4-10/h9-10H,1-8H2,(H,14,15,16,17)
InChIKey
XPTTZLKPFZVWGL-UHFFFAOYSA-N
Compound name
N,4-dicyclopropyl-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

5
Patents

309.12595 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 153.5
[M+Na]+ 332.11517 166.6
[M+NH4]+ 327.15977 161.7
[M+K]+ 348.08911 161.9
[M-H]- 308.11867 169.2
[M+Na-2H]- 330.10062 166.3
[M]+ 309.12540 162.1
[M]- 309.12650 162.1
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