CID 285587

35839-44-2

Structural Information

Molecular Formula
C25H31NO
SMILES
CN(C)CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)O
InChI
InChI=1S/C25H31NO/c1-26(2)16-21-11-22(12-23(24(21)27)20-6-4-3-5-7-20)25-13-17-8-18(14-25)10-19(9-17)15-25/h3-7,11-12,17-19,27H,8-10,13-16H2,1-2H3
InChIKey
FKVFOPFHCHWVFU-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-2-[(dimethylamino)methyl]-6-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.24057 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 186.5
[M+Na]+ 384.22979 186.7
[M-H]- 360.23329 187.1
[M+NH4]+ 379.27439 205.0
[M+K]+ 400.20373 181.3
[M+H-H2O]+ 344.23783 175.5
[M+HCOO]- 406.23877 192.0
[M+CH3COO]- 420.25442 192.3
[M+Na-2H]- 382.21524 192.8
[M]+ 361.24002 185.6
[M]- 361.24112 185.6
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.