CID 36194

32615-27-3

Structural Information

Molecular Formula
C24H27NO2
SMILES
C1C2CC3CC1CC(C2)(C3)CC4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O
InChI
InChI=1S/C24H27NO2/c26-23(27)21-3-1-2-4-22(21)25-20-7-5-16(6-8-20)12-24-13-17-9-18(14-24)11-19(10-17)15-24/h1-8,17-19,25H,9-15H2,(H,26,27)
InChIKey
GJNCOISNSMDECK-UHFFFAOYSA-N
Compound name
2-[4-(1-adamantylmethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.211476 181.6
[M+Na]+ 384.193418 181.3
[M-H]- 360.196924 180.8
[M+NH4]+ 379.238023 199.1
[M+K]+ 400.167358 175.6
[M+H-H2O]+ 344.201460 171.2
[M+HCOO]- 406.202401 186.5
[M+CH3COO]- 420.218051 187.0
[M+Na-2H]- 382.178866 189.5
[M]+ 361.20365142 179.5
[M]- 361.20474858 179.5
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.