CID 3080153

Benzamide, 4-methyl-n-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H23N5O2/c1-3-4-15-19-17(21-16(24)14-7-5-13(2)6-8-14)22-18(20-15)23-9-11-25-12-10-23/h5-8H,3-4,9-12H2,1-2H3,(H,19,20,21,22,24)
InChIKey
HDYVVKZHBWHTLH-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.192456 185.9
[M+Na]+ 364.174398 190.9
[M-H]- 340.177904 189.9
[M+NH4]+ 359.219003 191.4
[M+K]+ 380.148338 186.7
[M+H-H2O]+ 324.182440 173.1
[M+HCOO]- 386.183381 199.9
[M+CH3COO]- 400.199031 193.6
[M+Na-2H]- 362.159846 188.8
[M]+ 341.18463142 183.7
[M]- 341.18572858 183.7
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.