CID 588824

2-ethyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C13H16N2
SMILES
CCN1CCC2=C(C1)C3=CC=CC=C3N2
InChI
InChI=1S/C13H16N2/c1-2-15-8-7-13-11(9-15)10-5-3-4-6-12(10)14-13/h3-6,14H,2,7-9H2,1H3
InChIKey
MYUAGMGKBGUWEN-UHFFFAOYSA-N
Compound name
2-ethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

132
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.4
[M+Na]+ 223.12057 153.5
[M-H]- 199.12407 145.8
[M+NH4]+ 218.16517 164.5
[M+K]+ 239.09451 148.0
[M+H-H2O]+ 183.12861 137.1
[M+HCOO]- 245.12955 162.6
[M+CH3COO]- 259.14520 156.7
[M+Na-2H]- 221.10602 150.9
[M]+ 200.13080 142.6
[M]- 200.13190 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe