CID 136075846

85223-08-1

Structural Information

Molecular Formula
C25H12Cl3N5O3
SMILES
CC1=C(C2=NC3=C(C(=C(C=C3C(=O)N2N1)Cl)Cl)Cl)N=NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C25H12Cl3N5O3/c1-10-20(24-29-21-14(25(36)33(24)32-10)9-15(26)18(27)19(21)28)31-30-16-8-4-7-13-17(16)23(35)12-6-3-2-5-11(12)22(13)34/h2-9,32H,1H3
InChIKey
NCUBZKJWHZKVJX-UHFFFAOYSA-N
Compound name
1-[(5,6,7-trichloro-2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)diazenyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.00055 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.00783 221.7
[M+Na]+ 557.98977 242.0
[M+NH4]+ 553.03437 229.2
[M+K]+ 573.96371 231.9
[M-H]- 533.99327 227.6
[M+Na-2H]- 555.97522 227.3
[M]+ 535.00000 227.3
[M]- 535.00110 227.3
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.