CID 3080131

Cyclohexanol, 1-(((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)methyl)-

Structural Information

Molecular Formula
C17H29N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCC3(CCCCC3)O
InChI
InChI=1S/C17H29N5O2/c1-2-6-14-19-15(18-13-17(23)7-4-3-5-8-17)21-16(20-14)22-9-11-24-12-10-22/h23H,2-13H2,1H3,(H,18,19,20,21)
InChIKey
YDTZXBOZIZNNKB-UHFFFAOYSA-N
Compound name
1-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.23212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23940 184.2
[M+Na]+ 358.22134 186.2
[M-H]- 334.22484 185.7
[M+NH4]+ 353.26594 190.9
[M+K]+ 374.19528 182.8
[M+H-H2O]+ 318.22938 171.7
[M+HCOO]- 380.23032 193.8
[M+CH3COO]- 394.24597 190.2
[M+Na-2H]- 356.20679 187.2
[M]+ 335.23157 177.1
[M]- 335.23267 177.1
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.