CID 4945

Benzeneethanol, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-

Structural Information

Molecular Formula
C19H25NO
SMILES
CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3
InChIKey
INTCGJHAECYOBW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

761
Patents

283.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 170.1
[M+Na]+ 306.18282 173.5
[M-H]- 282.18632 175.9
[M+NH4]+ 301.22742 185.0
[M+K]+ 322.15676 170.4
[M+H-H2O]+ 266.19086 162.1
[M+HCOO]- 328.19180 190.5
[M+CH3COO]- 342.20745 206.0
[M+Na-2H]- 304.16827 174.2
[M]+ 283.19305 169.9
[M]- 283.19415 169.9
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