CID 364463

Nsc630724

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl
InChI
InChI=1S/C20H21ClN2O2/c21-14-1-2-17-15(6-14)16(10-22-17)18(24)19(25)23-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,22H,3-5,7-9H2,(H,23,25)
InChIKey
SCSXLINWYJSKFC-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12915 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 175.8
[M+Na]+ 379.11837 178.8
[M-H]- 355.12187 172.6
[M+NH4]+ 374.16297 196.3
[M+K]+ 395.09231 172.2
[M+H-H2O]+ 339.12641 168.4
[M+HCOO]- 401.12735 176.5
[M+CH3COO]- 415.14300 182.2
[M+Na-2H]- 377.10382 182.7
[M]+ 356.12860 177.6
[M]- 356.12970 177.6
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.