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]+ 256.16959 162.0
[M+Na]+ 278.15153 165.0
[M-H]- 254.15503 166.4
[M+NH4]+ 273.19613 177.1
[M+K]+ 294.12547 161.5
[M+H-H2O]+ 238.15957 154.2
[M+HCOO]- 300.16051 182.1
[M+CH3COO]- 314.17616 198.0
[M+Na-2H]- 276.13698 164.6
[M]+ 255.16176 159.1
[M]- 255.16286 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