CID 201292

Sc 10049

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CC(CC1=CNC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C19H22N2O3/c1-12(8-14-10-21-16-5-3-2-4-15(14)16)20-11-19(24)13-6-7-17(22)18(23)9-13/h2-7,9-10,12,19-24H,8,11H2,1H3
InChIKey
XVNQPBMFHPJWBM-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.5
[M+Na]+ 349.15228 189.4
[M+NH4]+ 344.19688 184.5
[M+K]+ 365.12622 185.8
[M-H]- 325.15578 180.5
[M+Na-2H]- 347.13773 183.2
[M]+ 326.16251 180.3
[M]- 326.16361 180.3
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

No patent data available for this compound.