CID 3080128

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

Structural Information

Molecular Formula
C19H27N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(CO)C(C3=CC=CC=C3)O
InChI
InChI=1S/C19H27N5O3/c1-2-6-16-21-18(23-19(22-16)24-9-11-27-12-10-24)20-15(13-25)17(26)14-7-4-3-5-8-14/h3-5,7-8,15,17,25-26H,2,6,9-13H2,1H3,(H,20,21,22,23)
InChIKey
GWVLAYVFOMAEKK-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]-1-phenylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2114 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21868 191.6
[M+Na]+ 396.20062 202.2
[M+NH4]+ 391.24522 195.5
[M+K]+ 412.17456 197.6
[M-H]- 372.20412 195.1
[M+Na-2H]- 394.18607 196.9
[M]+ 373.21085 193.7
[M]- 373.21195 193.7
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.