CID 9576556

Einecs 229-085-4

Structural Information

Molecular Formula
C30H18N4O4
SMILES
C1=CC=C2C(=O)C3=C(C(=O)C2=C1)C=CC(=C3N)/C=N/N=C/C4=C(C5=C(C(=O)C6=CC=CC=C6C5=O)C=C4)N
InChI
InChI=1S/C30H18N4O4/c31-25-15(9-11-21-23(25)29(37)19-7-3-1-5-17(19)27(21)35)13-33-34-14-16-10-12-22-24(26(16)32)30(38)20-8-4-2-6-18(20)28(22)36/h1-14H,31-32H2/b33-13+,34-14+
InChIKey
UDZNMGNLRSZOOB-AWNSZPOUSA-N
Compound name
1-amino-2-[(E)-[(E)-(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.14008 216.9
[M+Na]+ 521.12202 225.7
[M-H]- 497.12552 228.1
[M+NH4]+ 516.16662 226.7
[M+K]+ 537.09596 219.1
[M+H-H2O]+ 481.13006 204.1
[M+HCOO]- 543.13100 237.2
[M+CH3COO]- 557.14665 224.9
[M+Na-2H]- 519.10747 221.1
[M]+ 498.13225 217.0
[M]- 498.13335 217.0
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.