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]+ 357.136426 175.8
[M+Na]+ 379.118368 178.8
[M-H]- 355.121874 172.6
[M+NH4]+ 374.162973 196.3
[M+K]+ 395.092308 172.2
[M+H-H2O]+ 339.126410 168.4
[M+HCOO]- 401.127351 176.5
[M+CH3COO]- 415.143001 182.2
[M+Na-2H]- 377.103816 182.7
[M]+ 356.12860142 177.6
[M]- 356.12969858 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.