CID 107683

Pentoxyresorufin

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

CCCCCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2

InChI

InChI=1S/C17H17NO3/c1-2-3-4-9-20-13-6-8-15-17(11-13)21-16-10-12(19)5-7-14(16)18-15/h5-8,10-11H,2-4,9H2,1H3

InChIKey

ZPSOKQFFOYYPKC-UHFFFAOYSA-N

Compound name

7-pentoxyphenoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 105
References: 275
Patents: 283.12085 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]+	284.12813	163.9
[M+Na]+	306.11007	173.5
[M-H]-	282.11357	168.7
[M+NH4]+	301.15467	179.4
[M+K]+	322.08401	170.2
[M+H-H2O]+	266.11811	155.3
[M+HCOO]-	328.11905	183.8
[M+CH3COO]-	342.13470	202.1
[M+Na-2H]-	304.09552	172.6
[M]+	283.12030	169.8
[M]-	283.12140	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe