CID 3046428

62071-44-7

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3)C
InChI
InChI=1S/C22H29NO3/c1-22(2)13-20(16-8-6-5-7-9-16)19-11-10-18(12-21(19)26-22)25-15-17(24)14-23(3)4/h5-12,17,20,24H,13-15H2,1-4H3
InChIKey
YOKBJTBTRNPNDY-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 187.6
[M+Na]+ 378.20397 200.3
[M+NH4]+ 373.24857 197.0
[M+K]+ 394.17791 191.2
[M-H]- 354.20747 194.1
[M+Na-2H]- 376.18942 194.9
[M]+ 355.21420 191.5
[M]- 355.21530 191.5
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

patents stripe