CID 158169

82559-96-4

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CCC(C)(CC)C1=NN=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C19H25N3O3/c1-6-19(3,7-2)15-11-12-16(22-21-15)20-18(23)17-13(24-4)9-8-10-14(17)25-5/h8-12H,6-7H2,1-5H3,(H,20,22,23)
InChIKey
IIXVAGMYWDRAHB-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-[6-(3-methylpentan-3-yl)pyridazin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

343.1896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 184.8
[M+Na]+ 366.17882 191.2
[M-H]- 342.18232 188.9
[M+NH4]+ 361.22342 195.3
[M+K]+ 382.15276 188.0
[M+H-H2O]+ 326.18686 175.0
[M+HCOO]- 388.18780 204.0
[M+CH3COO]- 402.20345 216.7
[M+Na-2H]- 364.16427 188.4
[M]+ 343.18905 189.4
[M]- 343.19015 189.4
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

patents stripe