CID 44144589

55902-15-3

Structural Information

Molecular Formula
C21H21N3O3
SMILES
CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21N3O3/c1-15(16-6-4-3-5-7-16)22-20(25)14-24-21(26)13-12-19(23-24)17-8-10-18(27-2)11-9-17/h3-13,15H,14H2,1-2H3,(H,22,25)
InChIKey
BIFPFSCKWPVKRO-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 187.0
[M+Na]+ 386.14752 193.2
[M-H]- 362.15102 194.0
[M+NH4]+ 381.19212 195.6
[M+K]+ 402.12146 188.3
[M+H-H2O]+ 346.15556 175.4
[M+HCOO]- 408.15650 207.4
[M+CH3COO]- 422.17215 218.5
[M+Na-2H]- 384.13297 190.0
[M]+ 363.15775 188.6
[M]- 363.15885 188.6
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.