CID 3050505

Brn 0678695

Structural Information

Molecular Formula
C18H27N3
SMILES
CCC1C2=C(CCN1)C3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C18H27N3/c1-4-16-18-15(10-11-19-16)14-8-5-6-9-17(14)21(18)13-7-12-20(2)3/h5-6,8-9,16,19H,4,7,10-13H2,1-3H3
InChIKey
GVQXZDKKZWKIAI-UHFFFAOYSA-N
Compound name
3-(1-ethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.2205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 171.3
[M+Na]+ 308.20972 178.1
[M-H]- 284.21322 173.5
[M+NH4]+ 303.25432 188.4
[M+K]+ 324.18366 172.8
[M+H-H2O]+ 268.21776 162.7
[M+HCOO]- 330.21870 189.1
[M+CH3COO]- 344.23435 181.6
[M+Na-2H]- 306.19517 174.1
[M]+ 285.21995 172.0
[M]- 285.22105 172.0
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

patents stripe