CID 6410731

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

Structural Information

Molecular Formula
C15H13N5O2
SMILES
CC(C)OC1=CC2=C(C=C1)N=C3C=CC4=NNN=C4N3C2=O
InChI
InChI=1S/C15H13N5O2/c1-8(2)22-9-3-4-11-10(7-9)15(21)20-13(16-11)6-5-12-14(20)18-19-17-12/h3-8H,1-2H3,(H,17,18,19)
InChIKey
ZFXXWRQKLIAZGP-UHFFFAOYSA-N
Compound name
6-propan-2-yloxy-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

295.10693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 167.2
[M+Na]+ 318.09615 184.1
[M+NH4]+ 313.14075 174.0
[M+K]+ 334.07009 179.0
[M-H]- 294.09965 167.7
[M+Na-2H]- 316.08160 173.0
[M]+ 295.10638 169.8
[M]- 295.10748 169.8
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.