CID 166443

74336-60-0

Structural Information

Molecular Formula
C25H13Cl2N5O3
SMILES
CC1=C(C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2N1)N=NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C25H13Cl2N5O3/c1-11-20(24-28-21-16(25(35)32(24)31-11)9-12(26)10-17(21)27)30-29-18-8-4-7-15-19(18)23(34)14-6-3-2-5-13(14)22(15)33/h2-10,31H,1H3
InChIKey
OOWAWKKKXJSMTD-UHFFFAOYSA-N
Compound name
1-[(5,7-dichloro-2-methyl-9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)diazenyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

386
Patents

501.03955 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.04683 216.3
[M+Na]+ 524.02877 236.4
[M+NH4]+ 519.07337 224.1
[M+K]+ 540.00271 226.8
[M-H]- 500.03227 222.7
[M+Na-2H]- 522.01422 222.5
[M]+ 501.03900 221.8
[M]- 501.04010 221.8
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

patents stripe