CID 688271

(1s,2r)-2-(isopropylamino)-1,2-diphenylethanol

Structural Information

Molecular Formula
C17H21NO
SMILES
CC(C)N[C@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m1/s1
InChIKey
ILABSMRKFLZNPK-SJORKVTESA-N
Compound name
(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

255.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.169586 162.0
[M+Na]+ 278.151528 165.0
[M-H]- 254.155034 166.4
[M+NH4]+ 273.196133 177.1
[M+K]+ 294.125468 161.5
[M+H-H2O]+ 238.159570 154.2
[M+HCOO]- 300.160511 182.1
[M+CH3COO]- 314.176161 198.0
[M+Na-2H]- 276.136976 164.6
[M]+ 255.16176142 159.1
[M]- 255.16285858 159.1
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