CID 3080118

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

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCCO
InChI
InChI=1S/C13H23N5O2/c1-2-4-11-15-12(14-5-3-8-19)17-13(16-11)18-6-9-20-10-7-18/h19H,2-10H2,1H3,(H,14,15,16,17)
InChIKey
DZXOKDOHCGDYHA-UHFFFAOYSA-N
Compound name
3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.192456 170.1
[M+Na]+ 304.174398 174.7
[M-H]- 280.177904 169.5
[M+NH4]+ 299.219003 177.9
[M+K]+ 320.148338 171.6
[M+H-H2O]+ 264.182440 158.9
[M+HCOO]- 326.183381 184.0
[M+CH3COO]- 340.199031 200.1
[M+Na-2H]- 302.159846 174.7
[M]+ 281.18463142 168.2
[M]- 281.18572858 168.2
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.