CID 21402

5327-72-0

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=C2O)N)N)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/h1-6,17-18H,15-16H2
InChIKey
WGOXABJBDOYQFK-UHFFFAOYSA-N
Compound name
1,4-diaminoanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

189
Patents

240.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 150.1
[M+Na]+ 263.079088 161.2
[M-H]- 239.082594 153.6
[M+NH4]+ 258.123693 168.3
[M+K]+ 279.053028 155.5
[M+H-H2O]+ 223.087130 144.1
[M+HCOO]- 285.088071 172.2
[M+CH3COO]- 299.103721 162.8
[M+Na-2H]- 261.064536 157.5
[M]+ 240.08932142 148.9
[M]- 240.09041858 148.9
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