CID 45386

Beta-isopropylaminoethyl benzhydryl ether hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 166.3
[M+Na]+ 292.167198 169.6
[M-H]- 268.170704 171.9
[M+NH4]+ 287.211803 181.7
[M+K]+ 308.141138 166.2
[M+H-H2O]+ 252.175240 157.8
[M+HCOO]- 314.176181 188.5
[M+CH3COO]- 328.191831 202.6
[M+Na-2H]- 290.152646 170.1
[M]+ 269.17743142 166.2
[M]- 269.17852858 166.2
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

No patent data available for this compound.