CID 60724928

1-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
COC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H18ClNO2/c1-20-15-8-2-12(3-9-15)10-18-11-16(19)13-4-6-14(17)7-5-13/h2-9,16,18-19H,10-11H2,1H3
InChIKey
ZRNZAZOSGWWDCY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.1026 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 166.1
[M+Na]+ 314.09182 172.8
[M-H]- 290.09532 171.1
[M+NH4]+ 309.13642 181.4
[M+K]+ 330.06576 167.3
[M+H-H2O]+ 274.09986 159.2
[M+HCOO]- 336.10080 184.2
[M+CH3COO]- 350.11645 201.3
[M+Na-2H]- 312.07727 169.8
[M]+ 291.10205 168.6
[M]- 291.10315 168.6
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

patents stripe