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

15
Patents

343.1896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.196876 184.8
[M+Na]+ 366.178818 191.2
[M-H]- 342.182324 188.9
[M+NH4]+ 361.223423 195.3
[M+K]+ 382.152758 188.0
[M+H-H2O]+ 326.186860 175.0
[M+HCOO]- 388.187801 204.0
[M+CH3COO]- 402.203451 216.7
[M+Na-2H]- 364.164266 188.4
[M]+ 343.18905142 189.4
[M]- 343.19014858 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