CID 218509

40717-63-3

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC1CC2=C(C(N1)C3=CN=CC=C3)N(C4=C2C=C(C=C4)OC)C
InChI
InChI=1S/C19H21N3O/c1-12-9-16-15-10-14(23-3)6-7-17(15)22(2)19(16)18(21-12)13-5-4-8-20-11-13/h4-8,10-12,18,21H,9H2,1-3H3
InChIKey
RJNKLLMICOMZCC-UHFFFAOYSA-N
Compound name
6-methoxy-3,9-dimethyl-1-pyridin-3-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 175.0
[M+Na]+ 330.15768 191.1
[M+NH4]+ 325.20228 183.6
[M+K]+ 346.13162 184.2
[M-H]- 306.16118 179.0
[M+Na-2H]- 328.14313 181.6
[M]+ 307.16791 178.6
[M]- 307.16901 178.6
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.