CID 3080125

127374-83-8

Structural Information

Molecular Formula
C14H25N5O4
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(CO)(CO)CO
InChI
InChI=1S/C14H25N5O4/c1-2-3-11-15-12(18-14(8-20,9-21)10-22)17-13(16-11)19-4-6-23-7-5-19/h20-22H,2-10H2,1H3,(H,15,16,17,18)
InChIKey
RVICANJKNJNUAQ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19064 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19792 178.5
[M+Na]+ 350.17986 186.5
[M+NH4]+ 345.22446 181.2
[M+K]+ 366.15380 184.1
[M-H]- 326.18336 178.1
[M+Na-2H]- 348.16531 180.6
[M]+ 327.19009 178.9
[M]- 327.19119 178.9
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.