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]+ 307.180496 174.3
[M+Na]+ 329.162438 181.5
[M-H]- 305.165944 180.6
[M+NH4]+ 324.207043 190.3
[M+K]+ 345.136378 175.7
[M+H-H2O]+ 289.170480 165.4
[M+HCOO]- 351.171421 197.8
[M+CH3COO]- 365.187071 208.3
[M+Na-2H]- 327.147886 178.3
[M]+ 306.17267142 177.0
[M]- 306.17376858 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

literature stripe

Patent stripe

patents stripe