CID 158978

3-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-1,2-propanediol

Structural Information

Molecular Formula
C13H23N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCC(CO)O
InChI
InChI=1S/C13H23N5O3/c1-2-3-11-15-12(14-8-10(20)9-19)17-13(16-11)18-4-6-21-7-5-18/h10,19-20H,2-9H2,1H3,(H,14,15,16,17)
InChIKey
BYIQUFPZEOCWQD-UHFFFAOYSA-N
Compound name
3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.18008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18736 172.0
[M+Na]+ 320.16930 181.2
[M+NH4]+ 315.21390 175.9
[M+K]+ 336.14324 177.6
[M-H]- 296.17280 172.9
[M+Na-2H]- 318.15475 174.9
[M]+ 297.17953 173.0
[M]- 297.18063 173.0
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

No patent data available for this compound.