CID 3080120

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

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCC(C)O
InChI
InChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-9-10(2)19)17-13(16-11)18-5-7-20-8-6-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKey
MGKXYMOOOCUPGL-UHFFFAOYSA-N
Compound name
1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

281.18518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.192456 170.6
[M+Na]+ 304.174398 174.9
[M-H]- 280.177904 170.1
[M+NH4]+ 299.219003 178.3
[M+K]+ 320.148338 172.3
[M+H-H2O]+ 264.182440 159.6
[M+HCOO]- 326.183381 183.5
[M+CH3COO]- 340.199031 201.0
[M+Na-2H]- 302.159846 174.0
[M]+ 281.18463142 168.0
[M]- 281.18572858 168.0
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

patents stripe