CID 117565

25632-22-8

Structural Information

Molecular Formula
C28H22N2O2
SMILES
CC1=CC(=CC=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=CC=CC(=C5)C
InChI
InChI=1S/C28H22N2O2/c1-17-7-3-9-19(15-17)29-23-13-5-11-21-25(23)28(32)26-22(27(21)31)12-6-14-24(26)30-20-10-4-8-18(2)16-20/h3-16,29-30H,1-2H3
InChIKey
YBCMHEIWORKATQ-UHFFFAOYSA-N
Compound name
1,8-bis(3-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.16812 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.175396 202.6
[M+Na]+ 441.157338 210.5
[M-H]- 417.160844 213.9
[M+NH4]+ 436.201943 213.7
[M+K]+ 457.131278 202.8
[M+H-H2O]+ 401.165380 191.0
[M+HCOO]- 463.166321 223.4
[M+CH3COO]- 477.181971 211.8
[M+Na-2H]- 439.142786 206.5
[M]+ 418.16757142 202.1
[M]- 418.16866858 202.1
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

No patent data available for this compound.