CID 3073378

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

Structural Information

Molecular Formula
C12H17N5O2S
SMILES
C1CC1C2=NC(=NC(=N2)N3CCS(=O)(=O)C3)NC4CC4
InChI
InChI=1S/C12H17N5O2S/c18-20(19)6-5-17(7-20)12-15-10(8-1-2-8)14-11(16-12)13-9-3-4-9/h8-9H,1-7H2,(H,13,14,15,16)
InChIKey
PVBVRQMAUYVLOU-UHFFFAOYSA-N
Compound name
N,4-dicyclopropyl-6-(1,1-dioxo-1,3-thiazolidin-3-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

295.1103 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11758 183.9
[M+Na]+ 318.09952 192.5
[M-H]- 294.10302 190.7
[M+NH4]+ 313.14412 187.1
[M+K]+ 334.07346 187.9
[M+H-H2O]+ 278.10756 177.1
[M+HCOO]- 340.10850 196.6
[M+CH3COO]- 354.12415 191.1
[M+Na-2H]- 316.08497 182.1
[M]+ 295.10975 187.2
[M]- 295.11085 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe