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 176.0
[M+Na]+ 349.15228 181.7
[M-H]- 325.15578 177.6
[M+NH4]+ 344.19688 188.5
[M+K]+ 365.12622 175.7
[M+H-H2O]+ 309.16032 168.6
[M+HCOO]- 371.16126 193.0
[M+CH3COO]- 385.17691 204.1
[M+Na-2H]- 347.13773 177.5
[M]+ 326.16251 174.7
[M]- 326.16361 174.7
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