CID 5217367

529476-44-6

Structural Information

Molecular Formula
C22H20N2O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H20N2O/c1-25-15-9-10-20-19(13-15)18-11-12-23-21(22(18)24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-10,13,21,23-24H,11-12H2,1H3
InChIKey
UWFHJKFBKWBVPK-UHFFFAOYSA-N
Compound name
6-methoxy-1-naphthalen-1-yl-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

328.15756 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 180.0
[M+Na]+ 351.14678 196.8
[M+NH4]+ 346.19138 189.8
[M+K]+ 367.12072 188.3
[M-H]- 327.15028 185.4
[M+Na-2H]- 349.13223 187.2
[M]+ 328.15701 184.1
[M]- 328.15811 184.1
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.