CID 3080156

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

Structural Information

Molecular Formula
C20H27N5O4
SMILES
CCCC1=NC(=NC(=N1)N(C)C(=O)C2=CC(=C(C=C2)OC)OC)N3CCOCC3
InChI
InChI=1S/C20H27N5O4/c1-5-6-17-21-19(23-20(22-17)25-9-11-29-12-10-25)24(2)18(26)14-7-8-15(27-3)16(13-14)28-4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKey
KYJFRHGWPPITJZ-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-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

0
Patents

401.2063 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21358 199.6
[M+Na]+ 424.19552 204.3
[M-H]- 400.19902 205.2
[M+NH4]+ 419.24012 203.2
[M+K]+ 440.16946 202.4
[M+H-H2O]+ 384.20356 186.2
[M+HCOO]- 446.20450 213.8
[M+CH3COO]- 460.22015 228.7
[M+Na-2H]- 422.18097 200.4
[M]+ 401.20575 202.5
[M]- 401.20685 202.5
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.