CID 44144579

55902-04-0

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC1=NN(C(=O)C=C1)CC(=O)N(CC=C)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O2/c1-4-12-21(16(3)13-17-8-6-5-7-9-17)19(24)14-22-18(23)11-10-15(2)20-22/h4-11,16H,1,12-14H2,2-3H3
InChIKey
CJMKAKKCVQLXRE-UHFFFAOYSA-N
Compound name
2-(3-methyl-6-oxopyridazin-1-yl)-N-(1-phenylpropan-2-yl)-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.7
[M+Na]+ 348.168238 184.5
[M-H]- 324.171744 183.6
[M+NH4]+ 343.212843 190.1
[M+K]+ 364.142178 180.6
[M+H-H2O]+ 308.176280 168.4
[M+HCOO]- 370.177221 199.2
[M+CH3COO]- 384.192871 215.6
[M+Na-2H]- 346.153686 180.3
[M]+ 325.17847142 181.3
[M]- 325.17956858 181.3
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.