CID 6687

81-63-0

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1CC(=N)C2=C(C3=CC=CC=C3C(=C2C1=N)O)O
InChI
InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-18H,5-6H2
InChIKey
UFVDYITXJBCPMW-UHFFFAOYSA-N
Compound name
1,4-diimino-2,3-dihydroanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

342
Patents

240.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 148.7
[M+Na]+ 263.079088 157.3
[M-H]- 239.082594 152.1
[M+NH4]+ 258.123693 167.0
[M+K]+ 279.053028 151.5
[M+H-H2O]+ 223.087130 142.9
[M+HCOO]- 285.088071 168.1
[M+CH3COO]- 299.103721 160.5
[M+Na-2H]- 261.064536 155.4
[M]+ 240.08932142 143.7
[M]- 240.09041858 143.7
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

No patent data available for this compound.