CID 408322

887-94-5

Structural Information

Molecular Formula

C₁₆H₁₅N

SMILES

CN1C(C=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C16H15N/c1-17-15-10-6-5-9-14(15)11-12-16(17)13-7-3-2-4-8-13/h2-12,16H,1H3

InChIKey

QDGNTAWQJUIARL-UHFFFAOYSA-N

Compound name

1-methyl-2-phenyl-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 221.12045 Da
Monoisotopic Mass: 4.1
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]+	222.127726	149.5
[M+Na]+	244.109668	157.6
[M-H]-	220.113174	155.6
[M+NH4]+	239.154273	167.4
[M+K]+	260.083608	152.4
[M+H-H2O]+	204.117710	141.1
[M+HCOO]-	266.118651	170.3
[M+CH3COO]-	280.134301	162.0
[M+Na-2H]-	242.095116	157.3
[M]+	221.11990142	147.7
[M]-	221.12099858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe