CID 3326

Famprofazone

Structural Information

Molecular Formula
C24H31N3O
SMILES
CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
InChIKey
GNUXVOXXWGNPIV-UHFFFAOYSA-N
Compound name
1-methyl-5-[[methyl(1-phenylpropan-2-yl)amino]methyl]-2-phenyl-4-propan-2-ylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

38
References

256
Patents

377.2467 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 195.4
[M+Na]+ 400.23592 201.2
[M-H]- 376.23942 203.9
[M+NH4]+ 395.28052 206.6
[M+K]+ 416.20986 196.5
[M+H-H2O]+ 360.24396 184.5
[M+HCOO]- 422.24490 215.6
[M+CH3COO]- 436.26055 228.6
[M+Na-2H]- 398.22137 192.5
[M]+ 377.24615 198.7
[M]- 377.24725 198.7
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