CID 73804

Celestine blue

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)N
InChI
InChI=1S/C17H17N3O4/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22/h5-8,19H,3-4H2,1-2H3,(H2,18,23)
InChIKey
KFDNYLHNDZBJDQ-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1212
Patents

327.12192 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 173.9
[M+Na]+ 350.11114 187.7
[M+NH4]+ 345.15574 179.9
[M+K]+ 366.08508 182.3
[M-H]- 326.11464 177.6
[M+Na-2H]- 348.09659 178.2
[M]+ 327.12137 176.7
[M]- 327.12247 176.7
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

patents stripe