CID 166442

74336-59-7

Structural Information

Molecular Formula
C17H11ClN6O3
SMILES
CC1=C(C2=NC3=CC=CC=C3C(=O)N2N1)N=NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3
InChIKey
XJYVVHWZCYUMQY-UHFFFAOYSA-N
Compound name
3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

382.0581 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06538 181.6
[M+Na]+ 405.04732 198.8
[M+NH4]+ 400.09192 188.6
[M+K]+ 421.02126 194.9
[M-H]- 381.05082 187.6
[M+Na-2H]- 403.03277 189.6
[M]+ 382.05755 185.9
[M]- 382.05865 185.9
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