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 195.2
[M+Na]+ 408.20062 198.0
[M-H]- 384.20412 198.4
[M+NH4]+ 403.24522 198.4
[M+K]+ 424.17456 194.1
[M+H-H2O]+ 368.20866 181.5
[M+HCOO]- 430.20960 208.7
[M+CH3COO]- 444.22525 220.8
[M+Na-2H]- 406.18607 198.1
[M]+ 385.21085 194.5
[M]- 385.21195 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.