CID 46663

64046-78-2

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

COC(=O)C1=CC2=C(C3=CC=CC=C3N=C2C=C1)N

InChI

InChI=1S/C15H12N2O2/c1-19-15(18)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H2,16,17)

InChIKey

LHERLWVEBQULCM-UHFFFAOYSA-N

Compound name

methyl 9-aminoacridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 252.08987 Da
Monoisotopic Mass: 2.7
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]+	253.09715	154.6
[M+Na]+	275.07909	165.0
[M-H]-	251.08259	159.1
[M+NH4]+	270.12369	172.2
[M+K]+	291.05303	160.5
[M+H-H2O]+	235.08713	146.7
[M+HCOO]-	297.08807	176.8
[M+CH3COO]-	311.10372	167.4
[M+Na-2H]-	273.06454	163.1
[M]+	252.08932	157.0
[M]-	252.09042	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe