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]+ 312.20302 178.4
[M+Na]+ 334.18496 182.2
[M-H]- 310.18846 176.7
[M+NH4]+ 329.22956 184.2
[M+K]+ 350.15890 179.3
[M+H-H2O]+ 294.19300 167.9
[M+HCOO]- 356.19394 189.0
[M+CH3COO]- 370.20959 203.5
[M+Na-2H]- 332.17041 183.0
[M]+ 311.19519 175.8
[M]- 311.19629 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.