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]+ 326.18630 178.7
[M+Na]+ 348.16824 184.5
[M-H]- 324.17174 183.6
[M+NH4]+ 343.21284 190.1
[M+K]+ 364.14218 180.6
[M+H-H2O]+ 308.17628 168.4
[M+HCOO]- 370.17722 199.2
[M+CH3COO]- 384.19287 215.6
[M+Na-2H]- 346.15369 180.3
[M]+ 325.17847 181.3
[M]- 325.17957 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.