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]+ 364.190716 182.2
[M+Na]+ 386.172658 183.4
[M-H]- 362.176164 180.7
[M+NH4]+ 381.217263 201.1
[M+K]+ 402.146598 177.9
[M+H-H2O]+ 346.180700 171.9
[M+HCOO]- 408.181641 186.1
[M+CH3COO]- 422.197291 187.8
[M+Na-2H]- 384.158106 191.4
[M]+ 363.18289142 180.4
[M]- 363.18398858 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.