CID 3053665

4-((6-methoxy-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)methyl)-1,2-benzenediol hcl

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C19H20N2O3/c1-24-12-3-4-15-14(10-12)13-6-7-20-16(19(13)21-15)8-11-2-5-17(22)18(23)9-11/h2-5,9-10,16,20-23H,6-8H2,1H3
InChIKey
KJNUHVQCLCUDIR-UHFFFAOYSA-N
Compound name
4-[(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 175.7
[M+Na]+ 347.13662 184.1
[M-H]- 323.14012 177.0
[M+NH4]+ 342.18122 188.6
[M+K]+ 363.11056 176.4
[M+H-H2O]+ 307.14466 167.8
[M+HCOO]- 369.14560 189.0
[M+CH3COO]- 383.16125 184.8
[M+Na-2H]- 345.12207 178.2
[M]+ 324.14685 173.6
[M]- 324.14795 173.6
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.