CID 3080121

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

Structural Information

Molecular Formula
C14H25N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCC(CC)O
InChI
InChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-10-11(20)4-2)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKey
VSAHQVRDIGGWQA-UHFFFAOYSA-N
Compound name
1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20084 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20812 173.1
[M+Na]+ 318.19006 183.3
[M+NH4]+ 313.23466 177.8
[M+K]+ 334.16400 178.5
[M-H]- 294.19356 175.1
[M+Na-2H]- 316.17551 176.9
[M]+ 295.20029 174.7
[M]- 295.20139 174.7
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.