CID 3075519

1h-pyrido(3,4-b)indole-6-carboxamide, 2,3,4,9-tetrahydro-n,n-diethyl-1-oxo-

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CCN(CC)C(=O)C1=CC2=C(C=C1)NC3=C2CCNC3=O
InChI
InChI=1S/C16H19N3O2/c1-3-19(4-2)16(21)10-5-6-13-12(9-10)11-7-8-17-15(20)14(11)18-13/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKey
VHNNVMOJYLBKHM-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 166.4
[M+Na]+ 308.136958 173.7
[M-H]- 284.140464 167.8
[M+NH4]+ 303.181563 182.5
[M+K]+ 324.110898 168.7
[M+H-H2O]+ 268.145000 158.8
[M+HCOO]- 330.145941 183.2
[M+CH3COO]- 344.161591 202.7
[M+Na-2H]- 306.122406 169.1
[M]+ 285.14719142 165.5
[M]- 285.14828858 165.5
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.