CID 52312

73728-59-3

Structural Information

Molecular Formula
C17H20ClNO
SMILES
CCN(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H20ClNO/c1-2-19(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(18)11-9-15/h3-11,17,20H,2,12-13H2,1H3
InChIKey
RSAZSZSENWEXCW-UHFFFAOYSA-N
Compound name
2-[benzyl(ethyl)amino]-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13063 168.5
[M+Na]+ 312.11257 182.7
[M+NH4]+ 307.15717 177.6
[M+K]+ 328.08651 173.9
[M-H]- 288.11607 173.9
[M+Na-2H]- 310.09802 177.7
[M]+ 289.12280 172.5
[M]- 289.12390 172.5
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.