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]+ 286.15502 166.4
[M+Na]+ 308.13696 173.7
[M-H]- 284.14046 167.8
[M+NH4]+ 303.18156 182.5
[M+K]+ 324.11090 168.7
[M+H-H2O]+ 268.14500 158.8
[M+HCOO]- 330.14594 183.2
[M+CH3COO]- 344.16159 202.7
[M+Na-2H]- 306.12241 169.1
[M]+ 285.14719 165.5
[M]- 285.14829 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.