CID 76266

1,5-dianilinoanthraquinone

Structural Information

Molecular Formula
C26H18N2O2
SMILES
C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=CC=C5
InChI
InChI=1S/C26H18N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h1-16,27-28H
InChIKey
VMDUEJVMKSOQEZ-UHFFFAOYSA-N
Compound name
1,5-dianilinoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

390.13684 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14412 191.3
[M+Na]+ 413.12606 198.4
[M-H]- 389.12956 202.3
[M+NH4]+ 408.17066 203.1
[M+K]+ 429.10000 190.8
[M+H-H2O]+ 373.13410 179.9
[M+HCOO]- 435.13504 213.0
[M+CH3COO]- 449.15069 200.9
[M+Na-2H]- 411.11151 197.9
[M]+ 390.13629 189.5
[M]- 390.13739 189.5
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