CID 3080160

Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, benzoate (ester)

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H25N5O3/c1-2-6-16-21-18(23-19(22-16)24-10-13-26-14-11-24)20-9-12-27-17(25)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,21,22,23)
InChIKey
BEMCVQCGVKHETF-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19574 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 191.0
[M+Na]+ 394.18496 194.3
[M-H]- 370.18846 194.4
[M+NH4]+ 389.22956 194.8
[M+K]+ 410.15890 190.6
[M+H-H2O]+ 354.19300 177.5
[M+HCOO]- 416.19394 204.8
[M+CH3COO]- 430.20959 217.9
[M+Na-2H]- 392.17041 194.4
[M]+ 371.19519 190.0
[M]- 371.19629 190.0
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.