CID 114982

Resorufin benzyl ether

Structural Information

Molecular Formula
C19H13NO3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C4C=CC(=O)C=C4O3
InChI
InChI=1S/C19H13NO3/c21-14-6-8-16-18(10-14)23-19-11-15(7-9-17(19)20-16)22-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
XNZRYTITWLGTJS-UHFFFAOYSA-N
Compound name
7-phenylmethoxyphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

67
References

250
Patents

303.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09682 167.9
[M+Na]+ 326.07876 177.9
[M-H]- 302.08226 176.0
[M+NH4]+ 321.12336 181.8
[M+K]+ 342.05270 173.6
[M+H-H2O]+ 286.08680 157.8
[M+HCOO]- 348.08774 188.2
[M+CH3COO]- 362.10339 179.9
[M+Na-2H]- 324.06421 177.6
[M]+ 303.08899 171.5
[M]- 303.09009 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe