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]+ 366.217606 182.8
[M+Na]+ 388.199548 185.7
[M-H]- 364.203054 182.0
[M+NH4]+ 383.244153 200.9
[M+K]+ 404.173488 180.4
[M+H-H2O]+ 348.207590 172.6
[M+HCOO]- 410.208531 188.5
[M+CH3COO]- 424.224181 189.3
[M+Na-2H]- 386.184996 187.9
[M]+ 365.20978142 183.9
[M]- 365.21087858 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.