CID 24844857

5h-pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-butyl-8-(diethylamino)methyl-2-methyl-, methiodide

Structural Information

Molecular Formula
C21H33N3
SMILES
CCCCN1C2=C(CN(CC2)C)C3=C1C=CC(=C3C)N(CC)CC
InChI
InChI=1S/C21H33N3/c1-6-9-13-24-19-12-14-22(5)15-17(19)21-16(4)18(10-11-20(21)24)23(7-2)8-3/h10-11H,6-9,12-15H2,1-5H3
InChIKey
IPQMCPRWWSAOCH-UHFFFAOYSA-N
Compound name
5-butyl-N,N-diethyl-2,9-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.26746 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.27474 186.0
[M+Na]+ 350.25668 193.6
[M-H]- 326.26018 189.7
[M+NH4]+ 345.30128 202.6
[M+K]+ 366.23062 188.5
[M+H-H2O]+ 310.26472 177.0
[M+HCOO]- 372.26566 204.1
[M+CH3COO]- 386.28131 221.9
[M+Na-2H]- 348.24213 186.0
[M]+ 327.26691 190.2
[M]- 327.26801 190.2
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.