CID 56632775

5,9,14,18-anthrazinetetrone, dichloro-6,15-dihydro-

Structural Information

Molecular Formula
C28H10Cl2N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)N=C5C(=N4)C=CC6=C5C(=O)C7=C(C6=O)C(=C(C=C7)Cl)Cl
InChI
InChI=1S/C28H10Cl2N2O4/c29-16-8-5-13-19(22(16)30)27(35)15-7-10-18-24(21(15)28(13)36)32-17-9-6-14-20(23(17)31-18)26(34)12-4-2-1-3-11(12)25(14)33/h1-10H
InChIKey
XJRAIVQYWJSYBZ-UHFFFAOYSA-N
Compound name
9,10-dichloro-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4(13),6(11),7,9,14,16,19(28),21,23,25,29-tridecaene-5,12,20,27-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.00177 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.00905 220.3
[M+Na]+ 530.99099 246.7
[M+NH4]+ 526.03559 230.0
[M+K]+ 546.96493 232.3
[M-H]- 506.99449 227.3
[M+Na-2H]- 528.97644 228.0
[M]+ 508.00122 227.5
[M]- 508.00232 227.5
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.