CID 3048828

Brn 1141824

Structural Information

Molecular Formula
C13H8N6O
SMILES
C1=CC2=NC3=C(C=C(C=C3)C4=NNN=N4)C(=O)N2C=C1
InChI
InChI=1S/C13H8N6O/c20-13-9-7-8(12-15-17-18-16-12)4-5-10(9)14-11-3-1-2-6-19(11)13/h1-7H,(H,15,16,17,18)
InChIKey
JWDIMNSIYICISN-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08324 160.1
[M+Na]+ 287.06518 173.4
[M-H]- 263.06868 160.8
[M+NH4]+ 282.10978 171.4
[M+K]+ 303.03912 165.5
[M+H-H2O]+ 247.07322 149.1
[M+HCOO]- 309.07416 176.8
[M+CH3COO]- 323.08981 171.0
[M+Na-2H]- 285.05063 169.4
[M]+ 264.07541 161.4
[M]- 264.07651 161.4
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.