CID 3080161

Benzeneacetic acid, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)ethyl ester

Structural Information

Molecular Formula
C20H27N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCOC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H27N5O3/c1-2-6-17-22-19(24-20(23-17)25-10-13-27-14-11-25)21-9-12-28-18(26)15-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,21,22,23,24)
InChIKey
MATQOGBGDGPXQD-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2114 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21868 194.9
[M+Na]+ 408.20062 206.9
[M+NH4]+ 403.24522 199.3
[M+K]+ 424.17456 200.4
[M-H]- 384.20412 199.3
[M+Na-2H]- 406.18607 201.4
[M]+ 385.21085 197.5
[M]- 385.21195 197.5
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.