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 177.4
[M+Na]+ 351.14678 186.0
[M-H]- 327.15028 181.6
[M+NH4]+ 346.19138 191.9
[M+K]+ 367.12072 177.0
[M+H-H2O]+ 311.15482 167.8
[M+HCOO]- 373.15576 191.9
[M+CH3COO]- 387.17141 186.8
[M+Na-2H]- 349.13223 182.1
[M]+ 328.15701 174.9
[M]- 328.15811 174.9
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.