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 168.6
[M+Na]+ 315.14678 176.5
[M-H]- 291.15028 171.7
[M+NH4]+ 310.19138 183.8
[M+K]+ 331.12072 168.8
[M+H-H2O]+ 275.15482 159.8
[M+HCOO]- 337.15576 184.7
[M+CH3COO]- 351.17141 178.6
[M+Na-2H]- 313.13223 173.0
[M]+ 292.15701 166.2
[M]- 292.15811 166.2
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.