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

13
Patents

281.18518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 168.8
[M+Na]+ 304.17440 179.1
[M+NH4]+ 299.21900 173.6
[M+K]+ 320.14834 174.6
[M-H]- 280.17790 170.7
[M+Na-2H]- 302.15985 172.8
[M]+ 281.18463 170.4
[M]- 281.18573 170.4
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