CID 19081

Neomonacrin

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

CC1=CC=CC2=C(C3=CC=CC=C3N=C12)N

InChI

InChI=1S/C14H12N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-8H,1H3,(H2,15,16)

InChIKey

DQZVUDZSBQMLJC-UHFFFAOYSA-N

Compound name

4-methylacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 208.10005 Da
Monoisotopic Mass: 3.2
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	143.8
[M+Na]+	231.08927	161.2
[M+NH4]+	226.13387	154.5
[M+K]+	247.06321	151.9
[M-H]-	207.09277	149.2
[M+Na-2H]-	229.07472	153.4
[M]+	208.09950	148.1
[M]-	208.10060	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe