CID 73804

1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride

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

1251
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 174.8
[M+Na]+ 350.11114 185.0
[M-H]- 326.11464 180.2
[M+NH4]+ 345.15574 187.7
[M+K]+ 366.08508 182.1
[M+H-H2O]+ 310.11918 166.1
[M+HCOO]- 372.12012 195.8
[M+CH3COO]- 386.13577 217.2
[M+Na-2H]- 348.09659 180.6
[M]+ 327.12137 179.5
[M]- 327.12247 179.5
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