CID 481508

Chembl63234

Structural Information

Molecular Formula
C19H18ClNO2
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)CNCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClNO2/c1-23-18-7-4-14-10-19(22)16(8-15(14)9-18)12-21-11-13-2-5-17(20)6-3-13/h2-10,21-22H,11-12H2,1H3
InChIKey
YGSRAAHMODIOAE-UHFFFAOYSA-N
Compound name
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxynaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1026 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10988 175.0
[M+Na]+ 350.09182 183.9
[M-H]- 326.09532 181.3
[M+NH4]+ 345.13642 190.3
[M+K]+ 366.06576 176.9
[M+H-H2O]+ 310.09986 167.6
[M+HCOO]- 372.10080 192.8
[M+CH3COO]- 386.11645 186.2
[M+Na-2H]- 348.07727 180.1
[M]+ 327.10205 178.8
[M]- 327.10315 178.8
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

No patent data available for this compound.