CID 5103186

33966-23-3

Structural Information

Molecular Formula
C21H15ClN2O2
SMILES
CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Cl
InChI
InChI=1S/C21H15ClN2O2/c1-11-6-8-12(9-7-11)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3
InChIKey
BCIUGPADOHRZJL-UHFFFAOYSA-N
Compound name
1-amino-2-chloro-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

362.0822 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08948 184.6
[M+Na]+ 385.07142 195.6
[M-H]- 361.07492 193.2
[M+NH4]+ 380.11602 199.8
[M+K]+ 401.04536 187.9
[M+H-H2O]+ 345.07946 176.7
[M+HCOO]- 407.08040 201.9
[M+CH3COO]- 421.09605 195.7
[M+Na-2H]- 383.05687 188.5
[M]+ 362.08165 186.6
[M]- 362.08275 186.6
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