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]+ 282.19246 170.1
[M+Na]+ 304.17440 174.7
[M-H]- 280.17790 169.5
[M+NH4]+ 299.21900 177.9
[M+K]+ 320.14834 171.6
[M+H-H2O]+ 264.18244 158.9
[M+HCOO]- 326.18338 184.0
[M+CH3COO]- 340.19903 200.1
[M+Na-2H]- 302.15985 174.7
[M]+ 281.18463 168.2
[M]- 281.18573 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.