CID 5462989

Disperse blue 77

Structural Information

Molecular Formula
C20H12N2O6
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O
InChI
InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H
InChIKey
DYALWCKAJBVSBZ-UHFFFAOYSA-N
Compound name
1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

339
Patents

376.06955 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07683 182.7
[M+Na]+ 399.05877 198.0
[M+NH4]+ 394.10337 189.5
[M+K]+ 415.03271 193.8
[M-H]- 375.06227 188.5
[M+Na-2H]- 397.04422 188.5
[M]+ 376.06900 186.3
[M]- 376.07010 186.3
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