CID 3080149

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

Structural Information

Molecular Formula
C18H23N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H23N5O3/c1-3-4-15-19-17(22-18(20-15)23-9-11-26-12-10-23)21-16(24)13-5-7-14(25-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,19,20,21,22,24)
InChIKey
LIIPHIJKYCBSLG-UHFFFAOYSA-N
Compound name
4-methoxy-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

357.18008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18736 188.2
[M+Na]+ 380.16930 193.0
[M-H]- 356.17280 192.2
[M+NH4]+ 375.21390 192.9
[M+K]+ 396.14324 189.4
[M+H-H2O]+ 340.17734 175.2
[M+HCOO]- 402.17828 202.4
[M+CH3COO]- 416.19393 216.3
[M+Na-2H]- 378.15475 191.3
[M]+ 357.17953 187.4
[M]- 357.18063 187.4
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

No patent data available for this compound.