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 180.5
[M+Na]+ 350.17986 183.6
[M-H]- 326.18336 177.5
[M+NH4]+ 345.22446 184.8
[M+K]+ 366.15380 180.6
[M+H-H2O]+ 310.18790 170.1
[M+HCOO]- 372.18884 189.8
[M+CH3COO]- 386.20449 203.6
[M+Na-2H]- 348.16531 184.9
[M]+ 327.19009 177.5
[M]- 327.19119 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.