CID 3073380

N,4-dicyclopropyl-6-(3-thiazolidinyl)-1,3,5-triazin-2-amine s-oxide

Structural Information

Molecular Formula
C12H17N5OS
SMILES
C1CC1C2=NC(=NC(=N2)N3CCS(=O)C3)NC4CC4
InChI
InChI=1S/C12H17N5OS/c18-19-6-5-17(7-19)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
GHXGABZBNKCWFR-UHFFFAOYSA-N
Compound name
N,4-dicyclopropyl-6-(1-oxo-1,3-thiazolidin-3-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1154 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12268 179.2
[M+Na]+ 302.10462 187.5
[M-H]- 278.10812 185.9
[M+NH4]+ 297.14922 181.5
[M+K]+ 318.07856 181.7
[M+H-H2O]+ 262.11266 171.3
[M+HCOO]- 324.11360 192.4
[M+CH3COO]- 338.12925 186.4
[M+Na-2H]- 300.09007 176.5
[M]+ 279.11485 181.4
[M]- 279.11595 181.4
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

No patent data available for this compound.