CID 4768

Phenoxybenzamine

Structural Information

Molecular Formula
C18H22ClNO
SMILES
CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKey
QZVCTJOXCFMACW-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5239
References

16904
Patents

303.13898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14626 172.9
[M+Na]+ 326.12820 187.0
[M+NH4]+ 321.17280 182.2
[M+K]+ 342.10214 177.5
[M-H]- 302.13170 178.8
[M+Na-2H]- 324.11365 182.7
[M]+ 303.13843 177.0
[M]- 303.13953 177.0
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