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
2
Annotation Hits

7
References

246
Patents

240.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 148.7
[M+Na]+ 263.07909 157.3
[M-H]- 239.08259 152.1
[M+NH4]+ 258.12369 167.0
[M+K]+ 279.05303 151.5
[M+H-H2O]+ 223.08713 142.9
[M+HCOO]- 285.08807 168.1
[M+CH3COO]- 299.10372 160.5
[M+Na-2H]- 261.06454 155.4
[M]+ 240.08932 143.7
[M]- 240.09042 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

literature stripe

Patent stripe

patents stripe