CID 218511

2,3,4,9-tetrahydro-3,9-dimethyl-6-methoxy-1-(4-pyridinyl)-1h-pyrido(3,4-b)indole hcl

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC1CC2=C(C(N1)C3=CC=NC=C3)N(C4=C2C=C(C=C4)OC)C
InChI
InChI=1S/C19H21N3O/c1-12-10-16-15-11-14(23-3)4-5-17(15)22(2)19(16)18(21-12)13-6-8-20-9-7-13/h4-9,11-12,18,21H,10H2,1-3H3
InChIKey
VKMBKJGOPUEVTQ-UHFFFAOYSA-N
Compound name
6-methoxy-3,9-dimethyl-1-pyridin-4-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]+ 308.175736 175.7
[M+Na]+ 330.157678 185.8
[M-H]- 306.161184 179.4
[M+NH4]+ 325.202283 190.0
[M+K]+ 346.131618 178.6
[M+H-H2O]+ 290.165720 165.9
[M+HCOO]- 352.166661 191.7
[M+CH3COO]- 366.182311 186.1
[M+Na-2H]- 328.143126 178.6
[M]+ 307.16791142 176.2
[M]- 307.16900858 176.2
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.