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
5
Annotation Hits

59
References

3503
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

literature stripe

Patent stripe

patents stripe