CID 3073375

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

Structural Information

Molecular Formula
C13H19N5OS
SMILES
C1CC1C2=NC(=NC(=N2)N3CCS(=O)CC3)NC4CC4
InChI
InChI=1S/C13H19N5OS/c19-20-7-5-18(6-8-20)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
YDFWTOCGFAXHHU-UHFFFAOYSA-N
Compound name
N,4-dicyclopropyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.13104 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13832 186.4
[M+Na]+ 316.12026 193.3
[M-H]- 292.12376 192.3
[M+NH4]+ 311.16486 186.5
[M+K]+ 332.09420 187.5
[M+H-H2O]+ 276.12830 177.3
[M+HCOO]- 338.12924 197.7
[M+CH3COO]- 352.14489 192.2
[M+Na-2H]- 314.10571 184.6
[M]+ 293.13049 186.7
[M]- 293.13159 186.7
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