CID 3046438

62071-55-0

Structural Information

Molecular Formula
C23H28F3NO3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN(C)C)O)C3=CC(=CC=C3)C(F)(F)F)C
InChI
InChI=1S/C23H28F3NO3/c1-22(2)12-20(15-6-5-7-16(10-15)23(24,25)26)19-9-8-18(11-21(19)30-22)29-14-17(28)13-27(3)4/h5-11,17,20,28H,12-14H2,1-4H3
InChIKey
PBLWWTQESHCNKA-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

423.20212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20940 203.2
[M+Na]+ 446.19134 208.9
[M-H]- 422.19484 206.7
[M+NH4]+ 441.23594 214.6
[M+K]+ 462.16528 206.4
[M+H-H2O]+ 406.19938 192.2
[M+HCOO]- 468.20032 215.0
[M+CH3COO]- 482.21597 232.2
[M+Na-2H]- 444.17679 203.8
[M]+ 423.20157 202.1
[M]- 423.20267 202.1
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