CID 106049

1-methoxy-4-(4-toluidino)anthraquinone

Structural Information

Molecular Formula
C22H17NO3
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)OC)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H17NO3/c1-13-7-9-14(10-8-13)23-17-11-12-18(26-2)20-19(17)21(24)15-5-3-4-6-16(15)22(20)25/h3-12,23H,1-2H3
InChIKey
BWOZYUXKRAILOH-UHFFFAOYSA-N
Compound name
1-methoxy-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

343.12085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 180.7
[M+Na]+ 366.11007 197.6
[M+NH4]+ 361.15467 189.8
[M+K]+ 382.08401 187.9
[M-H]- 342.11357 187.4
[M+Na-2H]- 364.09552 189.0
[M]+ 343.12030 185.2
[M]- 343.12140 185.2
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