CID 64289

Brn 2910040

Structural Information

Molecular Formula
C23H25NO3
SMILES
C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O
InChI
InChI=1S/C23H25NO3/c25-21(26)19-3-1-2-4-20(19)24-18-7-5-17(6-8-18)22-10-15-9-16(11-22)13-23(27,12-15)14-22/h1-8,15-16,24,27H,9-14H2,(H,25,26)
InChIKey
OASHQVVSUCNHTO-UHFFFAOYSA-N
Compound name
2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 182.2
[M+Na]+ 386.17266 183.4
[M-H]- 362.17616 180.7
[M+NH4]+ 381.21726 201.1
[M+K]+ 402.14660 177.9
[M+H-H2O]+ 346.18070 171.9
[M+HCOO]- 408.18164 186.1
[M+CH3COO]- 422.19729 187.8
[M+Na-2H]- 384.15811 191.4
[M]+ 363.18289 180.4
[M]- 363.18399 180.4
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.