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 167.9
[M+Na]+ 312.11257 173.5
[M-H]- 288.11607 173.8
[M+NH4]+ 307.15717 183.7
[M+K]+ 328.08651 168.4
[M+H-H2O]+ 272.12061 160.6
[M+HCOO]- 334.12155 186.0
[M+CH3COO]- 348.13720 204.4
[M+Na-2H]- 310.09802 171.0
[M]+ 289.12280 170.2
[M]- 289.12390 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.