CID 3046434

62071-47-0

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN3CCCCC3)O)C4=CC=CC=C4)C
InChI
InChI=1S/C25H33NO3/c1-25(2)16-23(19-9-5-3-6-10-19)22-12-11-21(15-24(22)29-25)28-18-20(27)17-26-13-7-4-8-14-26/h3,5-6,9-12,15,20,23,27H,4,7-8,13-14,16-18H2,1-2H3
InChIKey
QRBBJFIZZIGFCV-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.24603 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 200.2
[M+Na]+ 418.23525 202.3
[M-H]- 394.23875 206.5
[M+NH4]+ 413.27985 209.8
[M+K]+ 434.20919 198.4
[M+H-H2O]+ 378.24329 188.9
[M+HCOO]- 440.24423 210.2
[M+CH3COO]- 454.25988 206.8
[M+Na-2H]- 416.22070 200.5
[M]+ 395.24548 196.0
[M]- 395.24658 196.0
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

patents stripe