CID 364462

Tcmdc-123481

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C20H22N2O2/c23-18(16-11-21-17-4-2-1-3-15(16)17)19(24)22-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14,21H,5-10H2,(H,22,24)
InChIKey
HRZIUWCIBGIRCS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 167.1
[M+Na]+ 345.15734 168.4
[M-H]- 321.16084 163.7
[M+NH4]+ 340.20194 187.8
[M+K]+ 361.13128 162.9
[M+H-H2O]+ 305.16538 158.6
[M+HCOO]- 367.16632 172.0
[M+CH3COO]- 381.18197 173.6
[M+Na-2H]- 343.14279 175.2
[M]+ 322.16757 166.3
[M]- 322.16867 166.3
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

No patent data available for this compound.