CID 5464784

Nsc127623

Structural Information

Molecular Formula
C26H16N4O6
SMILES
C1=CC=C(C=C1)NNC2=CC=C(C=C2)N=C3C=CC(=O)C4=C3C(=O)C5=C(C=CC(=C5C4=O)O)[N+](=O)[O-]
InChI
InChI=1S/C26H16N4O6/c31-19-12-10-17(27-14-6-8-16(9-7-14)29-28-15-4-2-1-3-5-15)21-23(19)26(34)24-20(32)13-11-18(30(35)36)22(24)25(21)33/h1-13,28-29,32H
InChIKey
UDNCKWMIYCYRPC-UHFFFAOYSA-N
Compound name
8-hydroxy-5-nitro-4-[4-(2-phenylhydrazinyl)phenyl]iminoanthracene-1,9,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.107 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.11428 207.8
[M+Na]+ 503.09622 214.5
[M-H]- 479.09972 219.8
[M+NH4]+ 498.14082 214.3
[M+K]+ 519.07016 205.4
[M+H-H2O]+ 463.10426 199.3
[M+HCOO]- 525.10520 233.4
[M+CH3COO]- 539.12085 240.9
[M+Na-2H]- 501.08167 217.2
[M]+ 480.10645 208.9
[M]- 480.10755 208.9
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.