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

20
Patents

273.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.4
[M+Na]+ 296.12572 168.3
[M-H]- 272.12922 167.3
[M+NH4]+ 291.17032 177.6
[M+K]+ 312.09966 165.1
[M+H-H2O]+ 256.13376 155.8
[M+HCOO]- 318.13470 183.7
[M+CH3COO]- 332.15035 198.3
[M+Na-2H]- 294.11117 165.9
[M]+ 273.13595 162.5
[M]- 273.13705 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