CID 3080126

127374-84-9

Structural Information

Molecular Formula
C14H25N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(C)(CO)CO
InChI
InChI=1S/C14H25N5O3/c1-3-4-11-15-12(18-14(2,9-20)10-21)17-13(16-11)19-5-7-22-8-6-19/h20-21H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKey
IQOFRAPPCZMXCM-UHFFFAOYSA-N
Compound name
2-methyl-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

311.19574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.203016 178.4
[M+Na]+ 334.184958 182.2
[M-H]- 310.188464 176.7
[M+NH4]+ 329.229563 184.2
[M+K]+ 350.158898 179.3
[M+H-H2O]+ 294.193000 167.9
[M+HCOO]- 356.193941 189.0
[M+CH3COO]- 370.209591 203.5
[M+Na-2H]- 332.170406 183.0
[M]+ 311.19519142 175.8
[M]- 311.19628858 175.8
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.