CID 157873

2,6-dimethoxy-n-(6-(1,1-dimethylethyl)-3-pyridazinyl)benzamide

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC(C)(C)C1=NN=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C17H21N3O3/c1-17(2,3)13-9-10-14(20-19-13)18-16(21)15-11(22-4)7-6-8-12(15)23-5/h6-10H,1-5H3,(H,18,20,21)
InChIKey
LUVRKDRNOMTONP-UHFFFAOYSA-N
Compound name
N-(6-tert-butylpyridazin-3-yl)-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

315.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 176.1
[M+Na]+ 338.14752 183.5
[M-H]- 314.15102 180.6
[M+NH4]+ 333.19212 187.9
[M+K]+ 354.12146 180.7
[M+H-H2O]+ 298.15556 166.8
[M+HCOO]- 360.15650 196.0
[M+CH3COO]- 374.17215 210.1
[M+Na-2H]- 336.13297 180.7
[M]+ 315.15775 179.9
[M]- 315.15885 179.9
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