CID 136138860

Pyrazolo(5,1-b)quinazolin-9(1h)-one, 3-((4-methoxy-2-nitrophenyl)azo)-2-methyl-

Structural Information

Molecular Formula
C18H14N6O4
SMILES
CC1=C(C2=NC3=CC=CC=C3C(=O)N2N1)N=NC4=C(C=C(C=C4)OC)[N+](=O)[O-]
InChI
InChI=1S/C18H14N6O4/c1-10-16(21-20-14-8-7-11(28-2)9-15(14)24(26)27)17-19-13-6-4-3-5-12(13)18(25)23(17)22-10/h3-9,22H,1-2H3
InChIKey
DBNSLNBUASUXNH-UHFFFAOYSA-N
Compound name
3-[(4-methoxy-2-nitrophenyl)diazenyl]-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10767 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11495 183.4
[M+Na]+ 401.09689 192.9
[M-H]- 377.10039 191.2
[M+NH4]+ 396.14149 194.1
[M+K]+ 417.07083 183.8
[M+H-H2O]+ 361.10493 176.9
[M+HCOO]- 423.10587 208.6
[M+CH3COO]- 437.12152 220.1
[M+Na-2H]- 399.08234 193.7
[M]+ 378.10712 187.2
[M]- 378.10822 187.2
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.