CID 3053662

Brn 0628732

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C21H24N2O3/c1-24-14-5-6-17-16(12-14)15-8-9-22-18(21(15)23-17)10-13-4-7-19(25-2)20(11-13)26-3/h4-7,11-12,18,22-23H,8-10H2,1-3H3
InChIKey
CSBAVYNEVHLVAF-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 185.1
[M+Na]+ 375.16790 193.3
[M-H]- 351.17140 188.6
[M+NH4]+ 370.21250 198.1
[M+K]+ 391.14184 186.7
[M+H-H2O]+ 335.17594 175.9
[M+HCOO]- 397.17688 200.6
[M+CH3COO]- 411.19253 194.4
[M+Na-2H]- 373.15335 187.1
[M]+ 352.17813 186.9
[M]- 352.17923 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.