CID 67195

9,10-anthracenedione, 1-(methylamino)-4-[(4-methylphenyl)amino]-

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3
InChIKey
ITYXXSSJBOAGAR-UHFFFAOYSA-N
Compound name
1-(methylamino)-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1920
Patents

342.13684 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 179.7
[M+Na]+ 365.126058 188.4
[M-H]- 341.129564 188.5
[M+NH4]+ 360.170663 194.6
[M+K]+ 381.099998 182.0
[M+H-H2O]+ 325.134100 170.3
[M+HCOO]- 387.135041 201.7
[M+CH3COO]- 401.150691 190.7
[M+Na-2H]- 363.111506 185.3
[M]+ 342.13629142 179.8
[M]- 342.13738858 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe