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]+ 342.192456 184.5
[M+Na]+ 364.174398 188.6
[M-H]- 340.177904 188.1
[M+NH4]+ 359.219003 189.7
[M+K]+ 380.148338 184.4
[M+H-H2O]+ 324.182440 171.5
[M+HCOO]- 386.183381 198.6
[M+CH3COO]- 400.199031 191.9
[M+Na-2H]- 362.159846 188.3
[M]+ 341.18463142 181.9
[M]- 341.18572858 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.