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]+ 348.170676 183.3
[M+Na]+ 370.152618 188.9
[M-H]- 346.156124 191.4
[M+NH4]+ 365.197223 193.0
[M+K]+ 386.126558 184.6
[M+H-H2O]+ 330.160660 171.7
[M+HCOO]- 392.161601 204.1
[M+CH3COO]- 406.177251 218.4
[M+Na-2H]- 368.138066 186.4
[M]+ 347.16285142 184.4
[M]- 347.16394858 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.