CID 91936885

1430634-87-9

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-2-3-9-14-22-15-18(17-12-7-8-13-19(17)22)20(23)21-16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,23)
InChIKey
SPUQBSMPSCYQLS-UHFFFAOYSA-N
Compound name
1-pentyl-N-phenylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.3
[M+Na]+ 329.16244 181.5
[M-H]- 305.16594 180.6
[M+NH4]+ 324.20704 190.3
[M+K]+ 345.13638 175.7
[M+H-H2O]+ 289.17048 165.4
[M+HCOO]- 351.17142 197.8
[M+CH3COO]- 365.18707 208.3
[M+Na-2H]- 327.14789 178.3
[M]+ 306.17267 177.0
[M]- 306.17377 177.0
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.