CID 3079042

Brn 3630997

Structural Information

Molecular Formula
C23H23NO3
SMILES
C1C(C(C(NC1C2=CC=CC=C2O)C3=CC=CC=C3O)C4=CC=CC=C4)O
InChI
InChI=1S/C23H23NO3/c25-19-12-6-4-10-16(19)18-14-21(27)22(15-8-2-1-3-9-15)23(24-18)17-11-5-7-13-20(17)26/h1-13,18,21-27H,14H2
InChIKey
AJQWVFDLXHUKTB-UHFFFAOYSA-N
Compound name
2,6-bis(2-hydroxyphenyl)-3-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17508 187.7
[M+Na]+ 384.15702 192.3
[M-H]- 360.16052 193.4
[M+NH4]+ 379.20162 195.3
[M+K]+ 400.13096 184.4
[M+H-H2O]+ 344.16506 177.5
[M+HCOO]- 406.16600 200.3
[M+CH3COO]- 420.18165 194.9
[M+Na-2H]- 382.14247 187.6
[M]+ 361.16725 179.7
[M]- 361.16835 179.7
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.