CID 3073526

N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-n-phenylbenzeneacetamide hydrochloride

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCC(CN1C)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-21-14-13-19(16-22(21)2)23(18-11-7-4-8-12-18)20(24)15-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3
InChIKey
PDBOWPLQFYIMMN-UHFFFAOYSA-N
Compound name
N-(1,2-dimethyldiazinan-4-yl)-N,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 179.7
[M+Na]+ 346.18899 182.9
[M-H]- 322.19249 186.6
[M+NH4]+ 341.23359 190.5
[M+K]+ 362.16293 178.8
[M+H-H2O]+ 306.19703 168.2
[M+HCOO]- 368.19797 197.2
[M+CH3COO]- 382.21362 214.2
[M+Na-2H]- 344.17444 181.3
[M]+ 323.19922 176.1
[M]- 323.20032 176.1
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.