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]+ 290.130626 167.9
[M+Na]+ 312.112568 173.5
[M-H]- 288.116074 173.8
[M+NH4]+ 307.157173 183.7
[M+K]+ 328.086508 168.4
[M+H-H2O]+ 272.120610 160.6
[M+HCOO]- 334.121551 186.0
[M+CH3COO]- 348.137201 204.4
[M+Na-2H]- 310.098016 171.0
[M]+ 289.12280142 170.2
[M]- 289.12389858 170.2
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.