CID 64603

126164-65-6

Structural Information

Molecular Formula
C23H23Cl2NO2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C(=O)NC5=C(C=CC=C5Cl)Cl
InChI
InChI=1S/C23H23Cl2NO2/c24-18-2-1-3-19(25)21(18)26-22(28)17-9-16(4-5-20(17)27)23-10-13-6-14(11-23)8-15(7-13)12-23/h1-5,9,13-15,27H,6-8,10-12H2,(H,26,28)
InChIKey
LNHZJAYHLBFORH-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-N-(2,6-dichlorophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1106 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11788 192.5
[M+Na]+ 438.09982 196.2
[M-H]- 414.10332 192.0
[M+NH4]+ 433.14442 210.2
[M+K]+ 454.07376 189.2
[M+H-H2O]+ 398.10786 185.0
[M+HCOO]- 460.10880 189.4
[M+CH3COO]- 474.12445 198.2
[M+Na-2H]- 436.08527 198.4
[M]+ 415.11005 195.2
[M]- 415.11115 195.2
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.