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

11
Patents

255.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.9
[M+Na]+ 278.15153 174.9
[M+NH4]+ 273.19613 171.3
[M+K]+ 294.12547 168.0
[M-H]- 254.15503 167.5
[M+Na-2H]- 276.13698 171.3
[M]+ 255.16176 165.9
[M]- 255.16286 165.9
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