CID 511525

Cbdive_006214

Structural Information

Molecular Formula
C21H15N3O2
SMILES
CC1=CC=C(C=C1)N=NNC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H15N3O2/c1-13-6-8-14(9-7-13)22-24-23-15-10-11-18-19(12-15)21(26)17-5-3-2-4-16(17)20(18)25/h2-12H,1H3,(H,22,23)
InChIKey
YUSWTGRUQGZWQL-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)iminohydrazinyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.11642 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12370 176.7
[M+Na]+ 364.10564 185.3
[M-H]- 340.10914 187.9
[M+NH4]+ 359.15024 192.4
[M+K]+ 380.07958 180.2
[M+H-H2O]+ 324.11368 166.4
[M+HCOO]- 386.11462 203.3
[M+CH3COO]- 400.13027 188.6
[M+Na-2H]- 362.09109 185.0
[M]+ 341.11587 178.2
[M]- 341.11697 178.2
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.