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

269
Patents

283.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.