CID 3036007

N-isobutyl-1,2-diphenylethanolamine

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C)CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO/c1-14(2)13-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14,17-20H,13H2,1-2H3
InChIKey
AFUDNVRZGPHSQO-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)-1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

347
Patents

269.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.6
[M+Na]+ 292.16720 169.2
[M-H]- 268.17070 170.8
[M+NH4]+ 287.21180 181.1
[M+K]+ 308.14114 165.5
[M+H-H2O]+ 252.17524 158.6
[M+HCOO]- 314.17618 186.3
[M+CH3COO]- 328.19183 201.0
[M+Na-2H]- 290.15265 168.7
[M]+ 269.17743 164.0
[M]- 269.17853 164.0
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