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 180.3
[M+Na]+ 350.15875 184.8
[M-H]- 326.16225 184.1
[M+NH4]+ 345.20335 186.1
[M+K]+ 366.13269 180.8
[M+H-H2O]+ 310.16679 167.5
[M+HCOO]- 372.16773 194.7
[M+CH3COO]- 386.18338 188.1
[M+Na-2H]- 348.14420 184.6
[M]+ 327.16898 177.4
[M]- 327.17008 177.4
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