CID 3046432

7-(2-hydroxy-3-methylaminopropoxy)-2,2-dimethyl-4-phenylchroman hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CNC)O)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27NO3/c1-21(2)12-19(15-7-5-4-6-8-15)18-10-9-17(11-20(18)25-21)24-14-16(23)13-22-3/h4-11,16,19,22-23H,12-14H2,1-3H3
InChIKey
BGDUYVJNHQBJAK-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 183.8
[M+Na]+ 364.18832 196.5
[M+NH4]+ 359.23292 193.1
[M+K]+ 380.16226 187.2
[M-H]- 340.19182 190.0
[M+Na-2H]- 362.17377 191.1
[M]+ 341.19855 187.6
[M]- 341.19965 187.6
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