CID 9839190

Cp-409092

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CNCC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3
InChI
InChI=1S/C17H19N3O2/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22)
InChIKey
XFJIYNUISLDNLP-UHFFFAOYSA-N
Compound name
N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

297.14774 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 168.0
[M+Na]+ 320.136958 173.2
[M-H]- 296.140464 172.6
[M+NH4]+ 315.181563 183.2
[M+K]+ 336.110898 168.0
[M+H-H2O]+ 280.145000 159.8
[M+HCOO]- 342.145941 188.1
[M+CH3COO]- 356.161591 205.7
[M+Na-2H]- 318.122406 170.5
[M]+ 297.14719142 164.1
[M]- 297.14828858 164.1
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.