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]+ 309.19615 166.5
[M+Na]+ 331.17809 169.2
[M-H]- 307.18159 164.7
[M+NH4]+ 326.22269 188.9
[M+K]+ 347.15203 163.6
[M+H-H2O]+ 291.18613 157.2
[M+HCOO]- 353.18707 173.5
[M+CH3COO]- 367.20272 174.1
[M+Na-2H]- 329.16354 174.7
[M]+ 308.18832 167.2
[M]- 308.18942 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.