CID 3080579

Resorufin acetate

Structural Information

Molecular Formula
C14H9NO4
SMILES
CC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
InChI
InChI=1S/C14H9NO4/c1-8(16)18-10-3-5-12-14(7-10)19-13-6-9(17)2-4-11(13)15-12/h2-7H,1H3
InChIKey
UJWKHDKBOVPINX-UHFFFAOYSA-N
Compound name
(7-oxophenoxazin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

184
Patents

255.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.060436 151.5
[M+Na]+ 278.042378 162.4
[M-H]- 254.045884 157.1
[M+NH4]+ 273.086983 168.0
[M+K]+ 294.016318 160.4
[M+H-H2O]+ 238.050420 143.6
[M+HCOO]- 300.051361 171.9
[M+CH3COO]- 314.067011 164.9
[M+Na-2H]- 276.027826 160.9
[M]+ 255.05261142 156.5
[M]- 255.05370858 156.5
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