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

12
Patents

341.18518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.192456 184.4
[M+Na]+ 364.174398 188.6
[M-H]- 340.177904 189.4
[M+NH4]+ 359.219003 190.1
[M+K]+ 380.148338 185.7
[M+H-H2O]+ 324.182440 171.2
[M+HCOO]- 386.183381 198.9
[M+CH3COO]- 400.199031 216.1
[M+Na-2H]- 362.159846 187.5
[M]+ 341.18463142 183.0
[M]- 341.18572858 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