CID 6410793

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

Structural Information

Molecular Formula
C13H9N5O2
SMILES
COC1=CC2=C(C=C1)N=C3C=CC4=NNN=C4N3C2=O
InChI
InChI=1S/C13H9N5O2/c1-20-7-2-3-9-8(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
TVZWFOOXPDRBSK-UHFFFAOYSA-N
Compound name
6-methoxy-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

267.07562 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08290 159.4
[M+Na]+ 290.06484 174.4
[M-H]- 266.06834 159.9
[M+NH4]+ 285.10944 173.7
[M+K]+ 306.03878 167.4
[M+H-H2O]+ 250.07288 149.9
[M+HCOO]- 312.07382 177.6
[M+CH3COO]- 326.08947 171.5
[M+Na-2H]- 288.05029 169.7
[M]+ 267.07507 164.9
[M]- 267.07617 164.9
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.