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

48
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.