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 188.6
[M+Na]+ 378.20397 193.1
[M-H]- 354.20747 195.9
[M+NH4]+ 373.24857 202.5
[M+K]+ 394.17791 191.5
[M+H-H2O]+ 338.21201 179.8
[M+HCOO]- 400.21295 205.6
[M+CH3COO]- 414.22860 220.2
[M+Na-2H]- 376.18942 191.2
[M]+ 355.21420 190.6
[M]- 355.21530 190.6
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

patents stripe