CID 389766

Nsc686362

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H24N2O3/c1-26-15-2-3-18-16(7-15)17(11-22-18)19(24)20(25)23-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14,22H,4-6,8-10H2,1H3,(H,23,25)
InChIKey
NJSPNPARGYCXSG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 175.3
[M+Na]+ 375.167898 176.6
[M-H]- 351.171404 171.9
[M+NH4]+ 370.212503 194.8
[M+K]+ 391.141838 171.7
[M+H-H2O]+ 335.175940 166.8
[M+HCOO]- 397.176881 179.7
[M+CH3COO]- 411.192531 181.4
[M+Na-2H]- 373.153346 182.5
[M]+ 352.17813142 176.4
[M]- 352.17922858 176.4
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.