CID 110984

7395-80-4

Structural Information

Molecular Formula

C₁₈H₁₉N

SMILES

CNCCC1(C=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H19N/c1-19-14-13-18(16-8-3-2-4-9-16)12-11-15-7-5-6-10-17(15)18/h2-12,19H,13-14H2,1H3

InChIKey

HUGLAQUJRPXQOX-UHFFFAOYSA-N

Compound name

N-methyl-2-(1-phenylinden-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 249.15175 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]+	250.15903	158.6
[M+Na]+	272.14097	166.1
[M-H]-	248.14447	166.2
[M+NH4]+	267.18557	180.2
[M+K]+	288.11491	160.5
[M+H-H2O]+	232.14901	151.2
[M+HCOO]-	294.14995	183.4
[M+CH3COO]-	308.16560	171.3
[M+Na-2H]-	270.12642	165.5
[M]+	249.15120	158.6
[M]-	249.15230	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe