CID 201238

Brn 0290934

Structural Information

Molecular Formula
C19H20N2O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2O/c1-22-14-7-8-17-16(12-14)15-9-10-20-18(19(15)21-17)11-13-5-3-2-4-6-13/h2-8,12,18,20-21H,9-11H2,1H3
InChIKey
QQGIRZMOOXJZIP-UHFFFAOYSA-N
Compound name
1-benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 170.2
[M+Na]+ 315.14678 185.3
[M+NH4]+ 310.19138 179.3
[M+K]+ 331.12072 178.0
[M-H]- 291.15028 174.4
[M+Na-2H]- 313.13223 177.2
[M]+ 292.15701 173.6
[M]- 292.15811 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.