CID 2017

Ethacridine

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N

InChI

InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)

InChIKey

CIKWKGFPFXJVGW-UHFFFAOYSA-N

Compound name

7-ethoxyacridine-3,9-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 592
References: 19170
Patents: 253.1215 Da
Monoisotopic Mass: 2.5
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]+	254.12878	156.2
[M+Na]+	276.11072	166.8
[M-H]-	252.11422	160.4
[M+NH4]+	271.15532	173.7
[M+K]+	292.08466	161.5
[M+H-H2O]+	236.11876	148.3
[M+HCOO]-	298.11970	179.4
[M+CH3COO]-	312.13535	168.7
[M+Na-2H]-	274.09617	164.6
[M]+	253.12095	157.4
[M]-	253.12205	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe