CID 470767

N-(1-adamantyl)-1-methyl-indole-2-carboxamide

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN1C2=CC=CC=C2C=C1C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H24N2O/c1-22-17-5-3-2-4-16(17)9-18(22)19(23)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-5,9,13-15H,6-8,10-12H2,1H3,(H,21,23)
InChIKey
LQLVGOWOCVCVEU-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-methylindole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 166.5
[M+Na]+ 331.178088 169.2
[M-H]- 307.181594 164.7
[M+NH4]+ 326.222693 188.9
[M+K]+ 347.152028 163.6
[M+H-H2O]+ 291.186130 157.2
[M+HCOO]- 353.187071 173.5
[M+CH3COO]- 367.202721 174.1
[M+Na-2H]- 329.163536 174.7
[M]+ 308.18832142 167.2
[M]- 308.18941858 167.2
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.