CID 470766

Gw611920x

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C19H22N2O/c22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2,(H,21,22)
InChIKey
YGUDSHJNJUBIHP-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

294.17322 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 160.1
[M+Na]+ 317.16244 162.2
[M-H]- 293.16594 157.0
[M+NH4]+ 312.20704 182.2
[M+K]+ 333.13638 156.1
[M+H-H2O]+ 277.17048 151.3
[M+HCOO]- 339.17142 166.2
[M+CH3COO]- 353.18707 167.4
[M+Na-2H]- 315.14789 169.4
[M]+ 294.17267 158.8
[M]- 294.17377 158.8
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.