CID 386788

Nsc679496

Structural Information

Molecular Formula
C23H26N4O2
SMILES
C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H26N4O2/c28-22(24-19-12-6-2-7-13-19)17-23(29)27-20(18-10-4-1-5-11-18)16-21(25-27)26-14-8-3-9-15-26/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,24,28)
InChIKey
RQYCPDRSXZCLTC-UHFFFAOYSA-N
Compound name
3-oxo-N-phenyl-3-(3-phenyl-5-piperidin-1-yl-3,4-dihydropyrazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.20557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 194.4
[M+Na]+ 413.19479 196.0
[M-H]- 389.19829 201.6
[M+NH4]+ 408.23939 201.4
[M+K]+ 429.16873 190.3
[M+H-H2O]+ 373.20283 181.6
[M+HCOO]- 435.20377 209.0
[M+CH3COO]- 449.21942 201.0
[M+Na-2H]- 411.18024 192.7
[M]+ 390.20502 187.8
[M]- 390.20612 187.8
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.