CID 22005903

4-(2-(benzyl(methyl)amino)-1-hydroxyethyl)benzene-1,2-diol

Structural Information

Molecular Formula
C16H19NO3
SMILES
CN(CC1=CC=CC=C1)CC(C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C16H19NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,16,18-20H,10-11H2,1H3
InChIKey
YENHZTNWVCNPRW-UHFFFAOYSA-N
Compound name
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

273.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 163.4
[M+Na]+ 296.125718 168.3
[M-H]- 272.129224 167.3
[M+NH4]+ 291.170323 177.6
[M+K]+ 312.099658 165.1
[M+H-H2O]+ 256.133760 155.8
[M+HCOO]- 318.134701 183.7
[M+CH3COO]- 332.150351 198.3
[M+Na-2H]- 294.111166 165.9
[M]+ 273.13595142 162.5
[M]- 273.13704858 162.5
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