CID 74973

2089-46-5

Structural Information

Molecular Formula
C27H38N2O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)CN3CCCCC3)O)CN4CCCCC4
InChI
InChI=1S/C27H38N2O/c1-27(2,24-12-6-3-7-13-24)25-18-22(20-28-14-8-4-9-15-28)26(30)23(19-25)21-29-16-10-5-11-17-29/h3,6-7,12-13,18-19,30H,4-5,8-11,14-17,20-21H2,1-2H3
InChIKey
YXOUVYWIPMJZHD-UHFFFAOYSA-N
Compound name
4-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

406.2984 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.30568 205.7
[M+Na]+ 429.28762 205.4
[M-H]- 405.29112 211.3
[M+NH4]+ 424.33222 211.5
[M+K]+ 445.26156 198.4
[M+H-H2O]+ 389.29566 193.0
[M+HCOO]- 451.29660 213.7
[M+CH3COO]- 465.31225 210.4
[M+Na-2H]- 427.27307 203.7
[M]+ 406.29785 196.2
[M]- 406.29895 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe