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 155.4
[M+Na]+ 274.06992 173.6
[M+NH4]+ 269.11452 163.2
[M+K]+ 290.04386 167.5
[M-H]- 250.07342 156.5
[M+Na-2H]- 272.05537 162.5
[M]+ 251.08015 158.4
[M]- 251.08125 158.4
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.