CID 3080159

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

Structural Information

Molecular Formula
C16H27N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCOC(=O)C(C)C
InChI
InChI=1S/C16H27N5O3/c1-4-5-13-18-15(17-6-9-24-14(22)12(2)3)20-16(19-13)21-7-10-23-11-8-21/h12H,4-11H2,1-3H3,(H,17,18,19,20)
InChIKey
XVRBSIPWGZHZIS-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21868 184.8
[M+Na]+ 360.20062 188.1
[M-H]- 336.20412 185.4
[M+NH4]+ 355.24522 190.7
[M+K]+ 376.17456 186.3
[M+H-H2O]+ 320.20866 173.1
[M+HCOO]- 382.20960 197.6
[M+CH3COO]- 396.22525 213.9
[M+Na-2H]- 358.18607 186.2
[M]+ 337.21085 185.1
[M]- 337.21195 185.1
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.