CID 374148

Nsc651605

Structural Information

Molecular Formula
C20H21BrN2O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C20H21BrN2O2/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
VINBWTWPUKJDOA-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.07864 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08592 183.0
[M+Na]+ 423.06786 187.2
[M-H]- 399.07136 182.4
[M+NH4]+ 418.11246 203.9
[M+K]+ 439.04180 175.9
[M+H-H2O]+ 383.07590 181.1
[M+HCOO]- 445.07684 186.3
[M+CH3COO]- 459.09249 190.6
[M+Na-2H]- 421.05331 190.3
[M]+ 400.07809 199.8
[M]- 400.07919 199.8
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.