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

2
Patents

326.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 176.0
[M+Na]+ 349.152278 181.7
[M-H]- 325.155784 177.6
[M+NH4]+ 344.196883 188.5
[M+K]+ 365.126218 175.7
[M+H-H2O]+ 309.160320 168.6
[M+HCOO]- 371.161261 193.0
[M+CH3COO]- 385.176911 204.1
[M+Na-2H]- 347.137726 177.5
[M]+ 326.16251142 174.7
[M]- 326.16360858 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