CID 3080143

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

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N(C)C(=O)C2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C18H23N5O2/c1-3-7-15-19-17(21-18(20-15)23-10-12-25-13-11-23)22(2)16(24)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKey
CZARRGCLLLLENQ-UHFFFAOYSA-N
Compound name
N-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

11
Patents

341.18518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 184.4
[M+Na]+ 364.17440 188.6
[M-H]- 340.17790 189.4
[M+NH4]+ 359.21900 190.1
[M+K]+ 380.14834 185.7
[M+H-H2O]+ 324.18244 171.2
[M+HCOO]- 386.18338 198.9
[M+CH3COO]- 400.19903 216.1
[M+Na-2H]- 362.15985 187.5
[M]+ 341.18463 183.0
[M]- 341.18573 183.0
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