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]+ 358.187356 188.2
[M+Na]+ 380.169298 193.0
[M-H]- 356.172804 192.2
[M+NH4]+ 375.213903 192.9
[M+K]+ 396.143238 189.4
[M+H-H2O]+ 340.177340 175.2
[M+HCOO]- 402.178281 202.4
[M+CH3COO]- 416.193931 216.3
[M+Na-2H]- 378.154746 191.3
[M]+ 357.17953142 187.4
[M]- 357.18062858 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.