CID 57458892

335161-19-8

Structural Information

Molecular Formula
C24H20N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCC#N
InChI
InChI=1S/C24H20N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,16H2
InChIKey
VWVAIBKHFCUSMD-UHFFFAOYSA-N
Compound name
5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

352.15756 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16484 193.4
[M+Na]+ 375.14678 204.6
[M-H]- 351.15028 198.0
[M+NH4]+ 370.19138 206.6
[M+K]+ 391.12072 193.0
[M+H-H2O]+ 335.15482 177.4
[M+HCOO]- 397.15576 210.0
[M+CH3COO]- 411.17141 201.8
[M+Na-2H]- 373.13223 195.2
[M]+ 352.15701 191.0
[M]- 352.15811 191.0
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