CID 44144586

55902-12-0

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC(C1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C21H21N3O2/c1-16(17-9-5-3-6-10-17)23(2)21(26)15-24-20(25)14-13-19(22-24)18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3
InChIKey
ZHEGMLXHLDWQCR-UHFFFAOYSA-N
Compound name
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.3
[M+Na]+ 370.15262 188.9
[M-H]- 346.15612 191.4
[M+NH4]+ 365.19722 193.0
[M+K]+ 386.12656 184.6
[M+H-H2O]+ 330.16066 171.7
[M+HCOO]- 392.16160 204.1
[M+CH3COO]- 406.17725 218.4
[M+Na-2H]- 368.13807 186.4
[M]+ 347.16285 184.4
[M]- 347.16395 184.4
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

No patent data available for this compound.