CID 44144587

55902-13-1

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N(C)C(C)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-16-9-11-19(12-10-16)20-13-14-21(26)25(23-20)15-22(27)24(3)17(2)18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3
InChIKey
MUGCOYMSELXPKL-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 187.9
[M+Na]+ 384.16824 194.0
[M-H]- 360.17174 196.2
[M+NH4]+ 379.21284 197.4
[M+K]+ 400.14218 189.6
[M+H-H2O]+ 344.17628 176.3
[M+HCOO]- 406.17722 208.3
[M+CH3COO]- 420.19287 222.5
[M+Na-2H]- 382.15369 189.7
[M]+ 361.17847 189.8
[M]- 361.17957 189.8
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.