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 182.8
[M+Na]+ 388.19955 185.7
[M-H]- 364.20305 182.0
[M+NH4]+ 383.24415 200.9
[M+K]+ 404.17349 180.4
[M+H-H2O]+ 348.20759 172.6
[M+HCOO]- 410.20853 188.5
[M+CH3COO]- 424.22418 189.3
[M+Na-2H]- 386.18500 187.9
[M]+ 365.20978 183.9
[M]- 365.21088 183.9
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.