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]+ 310.133226 191.6
[M+Na]+ 332.115168 198.8
[M-H]- 308.118674 197.6
[M+NH4]+ 327.159773 192.5
[M+K]+ 348.089108 194.4
[M+H-H2O]+ 292.123210 183.6
[M+HCOO]- 354.124151 202.3
[M+CH3COO]- 368.139801 197.4
[M+Na-2H]- 330.100616 190.7
[M]+ 309.12540142 193.0
[M]- 309.12649858 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