CID 167453

119171-73-2

Structural Information

Molecular Formula
C14H11NO4
SMILES
CC(=O)N1C2=C(C=C(C=C2)O)OC3=C1C=CC(=C3)O
InChI
InChI=1S/C14H11NO4/c1-8(16)15-11-4-2-9(17)6-13(11)19-14-7-10(18)3-5-12(14)15/h2-7,17-18H,1H3
InChIKey
PKYCWFICOKSIHZ-UHFFFAOYSA-N
Compound name
1-(3,7-dihydroxyphenoxazin-10-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

132
References

10423
Patents

257.06882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 154.4
[M+Na]+ 280.05804 164.1
[M-H]- 256.06154 157.3
[M+NH4]+ 275.10264 169.8
[M+K]+ 296.03198 161.3
[M+H-H2O]+ 240.06608 147.5
[M+HCOO]- 302.06702 170.2
[M+CH3COO]- 316.08267 166.3
[M+Na-2H]- 278.04349 161.3
[M]+ 257.06827 155.7
[M]- 257.06937 155.7
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