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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.114206	168.5
[M+Na]+	318.096148	182.1
[M-H]-	294.099654	168.7
[M+NH4]+	313.140753	181.5
[M+K]+	334.070088	175.2
[M+H-H2O]+	278.104190	158.7
[M+HCOO]-	340.105131	184.9
[M+CH3COO]-	354.120781	179.5
[M+Na-2H]-	316.081596	176.6
[M]+	295.10638142	173.9
[M]-	295.10747858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.