CID 122751

39774-73-7

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H16N2O2/c1-12-6-8-13(9-7-12)23-17-11-10-16(22)18-19(17)21(25)15-5-3-2-4-14(15)20(18)24/h2-11,23H,22H2,1H3
InChIKey
XATMSWLFSJLJTP-UHFFFAOYSA-N
Compound name
1-amino-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

328.1212 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 177.3
[M+Na]+ 351.11042 193.4
[M+NH4]+ 346.15502 186.4
[M+K]+ 367.08436 184.0
[M-H]- 327.11392 184.6
[M+Na-2H]- 349.09587 185.5
[M]+ 328.12065 181.8
[M]- 328.12175 181.8
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