CID 122902

32571-82-7

Structural Information

Molecular Formula
C21H13N3O2
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C#N)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H13N3O2/c22-11-12-10-16(24-13-6-2-1-3-7-13)17-18(19(12)23)21(26)15-9-5-4-8-14(15)20(17)25/h1-10,24H,23H2
InChIKey
FJMZFDACASWQCW-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-9,10-dioxoanthracene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

339.10077 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10805 187.1
[M+Na]+ 362.08999 201.5
[M+NH4]+ 357.13459 192.0
[M+K]+ 378.06393 189.2
[M-H]- 338.09349 186.0
[M+Na-2H]- 360.07544 191.2
[M]+ 339.10022 188.1
[M]- 339.10132 188.1
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

patents stripe