CID 65695

Difenamizole

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC(C(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C20H22N4O/c1-15(23(2)3)20(25)21-19-14-18(16-10-6-4-7-11-16)22-24(19)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,21,25)
InChIKey
PCXMKBOWWVXEDT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2997
Patents

334.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 180.7
[M+Na]+ 357.168568 185.6
[M-H]- 333.172074 189.3
[M+NH4]+ 352.213173 192.8
[M+K]+ 373.142508 181.9
[M+H-H2O]+ 317.176610 169.8
[M+HCOO]- 379.177551 203.5
[M+CH3COO]- 393.193201 218.8
[M+Na-2H]- 355.154016 182.1
[M]+ 334.17880142 181.1
[M]- 334.17989858 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe