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

4
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 182.6
[M+Na]+ 381.12096 191.0
[M-H]- 357.12446 191.3
[M+NH4]+ 376.16556 196.8
[M+K]+ 397.09490 185.5
[M+H-H2O]+ 341.12900 173.0
[M+HCOO]- 403.12994 204.8
[M+CH3COO]- 417.14559 193.4
[M+Na-2H]- 379.10641 188.4
[M]+ 358.13119 184.1
[M]- 358.13229 184.1
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