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]+ 386.218676 195.2
[M+Na]+ 408.200618 198.0
[M-H]- 384.204124 198.4
[M+NH4]+ 403.245223 198.4
[M+K]+ 424.174558 194.1
[M+H-H2O]+ 368.208660 181.5
[M+HCOO]- 430.209601 208.7
[M+CH3COO]- 444.225251 220.8
[M+Na-2H]- 406.186066 198.1
[M]+ 385.21085142 194.5
[M]- 385.21194858 194.5
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.