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 191.6
[M+Na]+ 332.11517 198.8
[M-H]- 308.11867 197.6
[M+NH4]+ 327.15977 192.5
[M+K]+ 348.08911 194.4
[M+H-H2O]+ 292.12321 183.6
[M+HCOO]- 354.12415 202.3
[M+CH3COO]- 368.13980 197.4
[M+Na-2H]- 330.10062 190.7
[M]+ 309.12540 193.0
[M]- 309.12650 193.0
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