CID 3080137

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

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N5O2/c1-2-6-14-18-16(20-15(23)13-7-4-3-5-8-13)21-17(19-14)22-9-11-24-12-10-22/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23)
InChIKey
KSDSCHBKMUZQCY-UHFFFAOYSA-N
Compound name
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

13
Patents

327.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 178.9
[M+Na]+ 350.15875 192.1
[M+NH4]+ 345.20335 184.4
[M+K]+ 366.13269 185.7
[M-H]- 326.16225 183.9
[M+Na-2H]- 348.14420 186.7
[M]+ 327.16898 182.0
[M]- 327.17008 182.0
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

patents stripe