CID 13340113

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

Structural Information

Molecular Formula
C12H7N5O
SMILES
C1=CC=C2C(=C1)C(=O)N3C(=N2)C=CC4=NNN=C43
InChI
InChI=1S/C12H7N5O/c18-12-7-3-1-2-4-8(7)13-10-6-5-9-11(17(10)12)15-16-14-9/h1-6H,(H,14,15,16)
InChIKey
DAVYGFWWUVVXTR-UHFFFAOYSA-N
Compound name
2,10,12,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,11,14,16-heptaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07234 150.8
[M+Na]+ 260.05428 165.6
[M-H]- 236.05778 151.1
[M+NH4]+ 255.09888 166.2
[M+K]+ 276.02822 158.2
[M+H-H2O]+ 220.06232 141.3
[M+HCOO]- 282.06326 169.3
[M+CH3COO]- 296.07891 163.3
[M+Na-2H]- 258.03973 162.4
[M]+ 237.06451 154.2
[M]- 237.06561 154.2
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.