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 170.6
[M+Na]+ 304.17440 174.9
[M-H]- 280.17790 170.1
[M+NH4]+ 299.21900 178.3
[M+K]+ 320.14834 172.3
[M+H-H2O]+ 264.18244 159.6
[M+HCOO]- 326.18338 183.5
[M+CH3COO]- 340.19903 201.0
[M+Na-2H]- 302.15985 174.0
[M]+ 281.18463 168.0
[M]- 281.18573 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