CID 3080138

Benzeneacetamide, n-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H23N5O2/c1-2-6-15-19-17(21-16(24)13-14-7-4-3-5-8-14)22-18(20-15)23-9-11-25-12-10-23/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,20,21,22,24)
InChIKey
BFGIPDOISHJIGZ-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 184.5
[M+Na]+ 364.17440 188.6
[M-H]- 340.17790 188.1
[M+NH4]+ 359.21900 189.7
[M+K]+ 380.14834 184.4
[M+H-H2O]+ 324.18244 171.5
[M+HCOO]- 386.18338 198.6
[M+CH3COO]- 400.19903 191.9
[M+Na-2H]- 362.15985 188.3
[M]+ 341.18463 181.9
[M]- 341.18573 181.9
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.