CID 21062

1-anilino-2-methyl-9,10-anthraquinone

Structural Information

Molecular Formula
C21H15NO2
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4
InChI
InChI=1S/C21H15NO2/c1-13-11-12-17-18(19(13)22-14-7-3-2-4-8-14)21(24)16-10-6-5-9-15(16)20(17)23/h2-12,22H,1H3
InChIKey
KESAQCMKDBKYJD-UHFFFAOYSA-N
Compound name
1-anilino-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.1103 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.117576 171.5
[M+Na]+ 336.099518 180.7
[M-H]- 312.103024 180.3
[M+NH4]+ 331.144123 187.8
[M+K]+ 352.073458 174.3
[M+H-H2O]+ 296.107560 162.5
[M+HCOO]- 358.108501 193.0
[M+CH3COO]- 372.124151 183.3
[M+Na-2H]- 334.084966 177.8
[M]+ 313.10975142 171.5
[M]- 313.11084858 171.5
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