CID 174429

9,10-anthracenedione, 1-[(7-chloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]-

Structural Information

Molecular Formula
C25H14ClN5O3
SMILES
CC1=C(C2=NC3=C(C=C(C=C3)Cl)C(=O)N2N1)N=NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C25H14ClN5O3/c1-12-21(24-27-18-10-9-13(26)11-17(18)25(34)31(24)30-12)29-28-19-8-4-7-16-20(19)23(33)15-6-3-2-5-14(15)22(16)32/h2-11,30H,1H3
InChIKey
QGBYFSCNFMMNGU-UHFFFAOYSA-N
Compound name
1-[(7-chloro-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

0
Patents

467.07852 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.08580 211.5
[M+Na]+ 490.06774 225.3
[M-H]- 466.07124 220.4
[M+NH4]+ 485.11234 222.3
[M+K]+ 506.04168 216.3
[M+H-H2O]+ 450.07578 199.5
[M+HCOO]- 512.07672 226.5
[M+CH3COO]- 526.09237 221.0
[M+Na-2H]- 488.05319 216.7
[M]+ 467.07797 218.7
[M]- 467.07907 218.7
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.