CID 11077

Resazurin

Structural Information

Molecular Formula
C12H7NO4
SMILES
C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-]
InChI
InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H
InChIKey
PLXBWHJQWKZRKG-UHFFFAOYSA-N
Compound name
7-hydroxy-10-oxidophenoxazin-10-ium-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1136
References

46550
Patents

229.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04478 143.5
[M+Na]+ 252.02672 154.5
[M-H]- 228.03022 147.0
[M+NH4]+ 247.07132 159.6
[M+K]+ 268.00066 146.7
[M+H-H2O]+ 212.03476 141.2
[M+HCOO]- 274.03570 162.9
[M+CH3COO]- 288.05135 178.1
[M+Na-2H]- 250.01217 155.7
[M]+ 229.03695 144.2
[M]- 229.03805 144.2
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