CID 118411

1-(4-methoxyanilino)-4-(methylamino)anthraquinone

Structural Information

Molecular Formula
C22H18N2O3
SMILES
CNC1=C2C(=C(C=C1)NC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C22H18N2O3/c1-23-17-11-12-18(24-13-7-9-14(27-2)10-8-13)20-19(17)21(25)15-5-3-4-6-16(15)22(20)26/h3-12,23-24H,1-2H3
InChIKey
SUORACXIDJKJSQ-UHFFFAOYSA-N
Compound name
1-(4-methoxyanilino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

358.13174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 184.8
[M+Na]+ 381.12096 200.5
[M+NH4]+ 376.16556 193.4
[M+K]+ 397.09490 191.2
[M-H]- 357.12446 191.8
[M+Na-2H]- 379.10641 192.8
[M]+ 358.13119 189.1
[M]- 358.13229 189.1
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