CID 11506715

1-(phenanthridin-6-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CN

InChI

InChI=1S/C14H12N2/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8H,9,15H2

InChIKey

VMEGXCFNOZAQFJ-UHFFFAOYSA-N

Compound name

phenanthridin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 208.10005 Da
Monoisotopic Mass: 2.3
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]+	209.10733	143.1
[M+Na]+	231.08927	153.4
[M-H]-	207.09277	147.3
[M+NH4]+	226.13387	162.6
[M+K]+	247.06321	147.8
[M+H-H2O]+	191.09731	135.6
[M+HCOO]-	253.09825	166.3
[M+CH3COO]-	267.11390	156.5
[M+Na-2H]-	229.07472	154.2
[M]+	208.09950	143.4
[M]-	208.10060	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe