CID 508427

Schembl6283905

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

CCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO2/c1-2-3-7-13-20-17-15(14-9-5-4-6-10-14)11-8-12-16(17)18(21)19(20)22/h4-6,8-12H,2-3,7,13H2,1H3

InChIKey

QEDOTJXIRMMBJY-UHFFFAOYSA-N

Compound name

1-pentyl-7-phenylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 293.14157 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.148846	169.7
[M+Na]+	316.130788	178.5
[M-H]-	292.134294	176.1
[M+NH4]+	311.175393	186.9
[M+K]+	332.104728	172.8
[M+H-H2O]+	276.138830	161.6
[M+HCOO]-	338.139771	190.9
[M+CH3COO]-	352.155421	204.5
[M+Na-2H]-	314.116236	171.5
[M]+	293.14102142	172.0
[M]-	293.14211858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe