CID 243194

12h-benzo(a)phenoxazine, 12-methyl-

Structural Information

Molecular Formula

C₁₇H₁₃NO

SMILES

CN1C2=CC=CC=C2OC3=C1C4=CC=CC=C4C=C3

InChI

InChI=1S/C17H13NO/c1-18-14-8-4-5-9-15(14)19-16-11-10-12-6-2-3-7-13(12)17(16)18/h2-11H,1H3

InChIKey

KWAXNNFIJJCSIZ-UHFFFAOYSA-N

Compound name

12-methylbenzo[a]phenoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 247.09972 Da
Monoisotopic Mass: 4.5
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]+	248.10700	153.5
[M+Na]+	270.08894	163.4
[M-H]-	246.09244	159.2
[M+NH4]+	265.13354	171.3
[M+K]+	286.06288	158.9
[M+H-H2O]+	230.09698	144.8
[M+HCOO]-	292.09792	171.1
[M+CH3COO]-	306.11357	166.0
[M+Na-2H]-	268.07439	163.9
[M]+	247.09917	154.3
[M]-	247.10027	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe