CID 66500

82-16-6

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

110
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

literature stripe

Patent stripe

patents stripe