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]+ 328.197916 180.5
[M+Na]+ 350.179858 183.6
[M-H]- 326.183364 177.5
[M+NH4]+ 345.224463 184.8
[M+K]+ 366.153798 180.6
[M+H-H2O]+ 310.187900 170.1
[M+HCOO]- 372.188841 189.8
[M+CH3COO]- 386.204491 203.6
[M+Na-2H]- 348.165306 184.9
[M]+ 327.19009142 177.5
[M]- 327.19118858 177.5
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.