CID 6410792

1,2,3-triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1h)-one, 9-methyl-

Structural Information

Molecular Formula
C13H9N5O
SMILES
CC1=CC2=C(C=C1)N=C3C=CC4=NNN=C4N3C2=O
InChI
InChI=1S/C13H9N5O/c1-7-2-3-9-8(6-7)13(19)18-11(14-9)5-4-10-12(18)16-17-15-10/h2-6H,1H3,(H,15,16,17)
InChIKey
LGZSLRJQJIBGRM-UHFFFAOYSA-N
Compound name
6-methyl-2,10,12,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,11,14,16-heptaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0807 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08798 156.8
[M+Na]+ 274.06992 172.1
[M-H]- 250.07342 157.3
[M+NH4]+ 269.11452 171.9
[M+K]+ 290.04386 164.4
[M+H-H2O]+ 234.07796 147.4
[M+HCOO]- 296.07890 174.9
[M+CH3COO]- 310.09455 169.1
[M+Na-2H]- 272.05537 166.9
[M]+ 251.08015 160.9
[M]- 251.08125 160.9
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

No patent data available for this compound.