CID 204862

2-(alpha-((benzylamino)methyl)benzyl)-6-isopropoxy-3(2h)-pyridazinone hydrochloride

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC(C)OC1=NN(C(=O)C=C1)C(CNCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H25N3O2/c1-17(2)27-21-13-14-22(26)25(24-21)20(19-11-7-4-8-12-19)16-23-15-18-9-5-3-6-10-18/h3-14,17,20,23H,15-16H2,1-2H3
InChIKey
CEACHRJITPKASX-UHFFFAOYSA-N
Compound name
2-[2-(benzylamino)-1-phenylethyl]-6-propan-2-yloxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 188.7
[M+Na]+ 386.18389 193.3
[M-H]- 362.18739 195.0
[M+NH4]+ 381.22849 197.1
[M+K]+ 402.15783 188.0
[M+H-H2O]+ 346.19193 176.9
[M+HCOO]- 408.19287 208.4
[M+CH3COO]- 422.20852 219.4
[M+Na-2H]- 384.16934 191.9
[M]+ 363.19412 189.6
[M]- 363.19522 189.6
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.