CID 9819382

207679-81-0

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
InChI
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
InChIKey
DUXZAXCGJSBGDW-HXUWFJFHSA-N
Compound name
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

722
Patents

341.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 187.6
[M+Na]+ 364.22469 189.9
[M-H]- 340.22819 191.9
[M+NH4]+ 359.26929 199.6
[M+K]+ 380.19863 186.7
[M+H-H2O]+ 324.23273 179.2
[M+HCOO]- 386.23367 205.1
[M+CH3COO]- 400.24932 218.2
[M+Na-2H]- 362.21014 184.9
[M]+ 341.23492 188.0
[M]- 341.23602 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe