CID 384477

Nsc674281

Structural Information

Molecular Formula

C₁₆H₁₁ClN₂

SMILES

CN1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C31)Cl

InChI

InChI=1S/C16H11ClN2/c1-19-13-9-5-3-7-11(13)15-16(19)14(17)10-6-2-4-8-12(10)18-15/h2-9H,1H3

InChIKey

KPRCLSULWXGYKE-UHFFFAOYSA-N

Compound name

11-chloro-10-methylindolo[3,2-b]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.06107 Da
Monoisotopic Mass: 4.0
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]+	267.06835	158.3
[M+Na]+	289.05029	173.3
[M-H]-	265.05379	163.3
[M+NH4]+	284.09489	178.7
[M+K]+	305.02423	165.2
[M+H-H2O]+	249.05833	150.6
[M+HCOO]-	311.05927	176.1
[M+CH3COO]-	325.07492	172.1
[M+Na-2H]-	287.03574	167.0
[M]+	266.06052	165.1
[M]-	266.06162	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe