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

literature stripe

Patent stripe

patents stripe