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

18
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 189.0
[M+Na]+ 362.08999 200.9
[M-H]- 338.09349 195.3
[M+NH4]+ 357.13459 201.9
[M+K]+ 378.06393 190.8
[M+H-H2O]+ 322.09803 174.2
[M+HCOO]- 384.09897 206.8
[M+CH3COO]- 398.11462 197.8
[M+Na-2H]- 360.07544 192.3
[M]+ 339.10022 182.4
[M]- 339.10132 182.4
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