CID 13293445

Schembl13933160

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

CC1=CC2=C(C=C1)NC3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C15H13NO/c1-9-3-5-13-11(7-9)15(17)12-8-10(2)4-6-14(12)16-13/h3-8H,1-2H3,(H,16,17)

InChIKey

IBEGAUGEWHXHQH-UHFFFAOYSA-N

Compound name

2,7-dimethyl-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 223.09972 Da
Monoisotopic Mass: 3.7
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]+	224.10700	147.1
[M+Na]+	246.08894	159.4
[M-H]-	222.09244	151.2
[M+NH4]+	241.13354	166.4
[M+K]+	262.06288	153.2
[M+H-H2O]+	206.09698	140.2
[M+HCOO]-	268.09792	168.3
[M+CH3COO]-	282.11357	160.8
[M+Na-2H]-	244.07439	156.2
[M]+	223.09917	149.0
[M]-	223.10027	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe