CID 125181419

Unii-p8bp3x5ebr

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)Cl
InChI
InChI=1S/C17H20ClNO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3
InChIKey
VHWXICYYQMMZCW-UHFFFAOYSA-N
Compound name
2-[[2-(4-chloro-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

321.11316 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 173.4
[M+Na]+ 344.10238 181.6
[M-H]- 320.10588 179.0
[M+NH4]+ 339.14698 188.1
[M+K]+ 360.07632 176.2
[M+H-H2O]+ 304.11042 166.3
[M+HCOO]- 366.11136 192.3
[M+CH3COO]- 380.12701 207.9
[M+Na-2H]- 342.08783 176.4
[M]+ 321.11261 179.1
[M]- 321.11371 179.1
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

patents stripe