CID 373266

Nsc649418

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C=CCCCC12CCCC3=C1C(=CC=C3)NC2=O

InChI

InChI=1S/C16H19NO/c1-2-3-4-10-16-11-6-8-12-7-5-9-13(14(12)16)17-15(16)18/h2,5,7,9H,1,3-4,6,8,10-11H2,(H,17,18)

InChIKey

AHLXYZLFKAUGCX-UHFFFAOYSA-N

Compound name

2a-pent-4-enyl-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 241.14667 Da
Monoisotopic Mass: 3.6
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]+	242.153946	158.1
[M+Na]+	264.135888	165.1
[M-H]-	240.139394	159.3
[M+NH4]+	259.180493	179.7
[M+K]+	280.109828	159.0
[M+H-H2O]+	224.143930	151.5
[M+HCOO]-	286.144871	174.2
[M+CH3COO]-	300.160521	169.0
[M+Na-2H]-	262.121336	162.5
[M]+	241.14612142	155.9
[M]-	241.14721858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe