CID 271596

2,3-diaminoanthracene-9,10-dione

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)N)N
InChI
InChI=1S/C14H10N2O2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2
InChIKey
QLYNDPSMXHPWNH-UHFFFAOYSA-N
Compound name
2,3-diaminoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

238.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.081506 149.1
[M+Na]+ 261.063448 159.5
[M-H]- 237.066954 154.6
[M+NH4]+ 256.108053 168.4
[M+K]+ 277.037388 154.5
[M+H-H2O]+ 221.071490 142.6
[M+HCOO]- 283.072431 171.6
[M+CH3COO]- 297.088081 162.1
[M+Na-2H]- 259.048896 155.4
[M]+ 238.07368142 147.0
[M]- 238.07477858 147.0
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