CID 73802

Gallocyanine

Structural Information

Molecular Formula
C15H12N2O5
SMILES
CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)O
InChI
InChI=1S/C15H12N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h3-6,16H,1-2H3,(H,20,21)
InChIKey
DNLNTLLPAVLFLS-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

3601
Patents

300.07462 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 162.8
[M+Na]+ 323.06384 174.3
[M-H]- 299.06734 168.0
[M+NH4]+ 318.10844 176.8
[M+K]+ 339.03778 172.0
[M+H-H2O]+ 283.07188 155.0
[M+HCOO]- 345.07282 182.9
[M+CH3COO]- 359.08847 206.5
[M+Na-2H]- 321.04929 170.1
[M]+ 300.07407 168.3
[M]- 300.07517 168.3
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

No patent data available for this compound.