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]+ 342.19246 185.9
[M+Na]+ 364.17440 190.9
[M-H]- 340.17790 189.9
[M+NH4]+ 359.21900 191.4
[M+K]+ 380.14834 186.7
[M+H-H2O]+ 324.18244 173.1
[M+HCOO]- 386.18338 199.9
[M+CH3COO]- 400.19903 193.6
[M+Na-2H]- 362.15985 188.8
[M]+ 341.18463 183.7
[M]- 341.18573 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.