CID 64179

18522-38-8

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H27N3O2/c1-14-19(20(26)25(24(14)2)18-6-4-3-5-7-18)23-21(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,23,27)
InChIKey
YSXDWWFNPPAIMG-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

365.21033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 184.1
[M+Na]+ 388.19955 194.9
[M+NH4]+ 383.24415 195.0
[M+K]+ 404.17349 186.9
[M-H]- 364.20305 184.9
[M+Na-2H]- 386.18500 183.0
[M]+ 365.20978 185.9
[M]- 365.21088 185.9
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

No patent data available for this compound.