CID 64605

Brn 4276028

Structural Information

Molecular Formula
C23H23Cl2NO2
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)O
InChI
InChI=1S/C23H23Cl2NO2/c24-18-2-1-3-19(25)20(18)26-21(28)23-11-14-8-15(12-23)10-22(9-14,13-23)16-4-6-17(27)7-5-16/h1-7,14-15,27H,8-13H2,(H,26,28)
InChIKey
NJXIWWHQAWGLTN-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1106 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11788 192.2
[M+Na]+ 438.09982 196.4
[M-H]- 414.10332 191.7
[M+NH4]+ 433.14442 211.5
[M+K]+ 454.07376 189.0
[M+H-H2O]+ 398.10786 183.8
[M+HCOO]- 460.10880 189.1
[M+CH3COO]- 474.12445 198.0
[M+Na-2H]- 436.08527 199.5
[M]+ 415.11005 194.8
[M]- 415.11115 194.8
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.