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]+ 353.18596 175.3
[M+Na]+ 375.16790 176.6
[M-H]- 351.17140 171.9
[M+NH4]+ 370.21250 194.8
[M+K]+ 391.14184 171.7
[M+H-H2O]+ 335.17594 166.8
[M+HCOO]- 397.17688 179.7
[M+CH3COO]- 411.19253 181.4
[M+Na-2H]- 373.15335 182.5
[M]+ 352.17813 176.4
[M]- 352.17923 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.