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 168.5
[M+Na]+ 318.09615 182.1
[M-H]- 294.09965 168.7
[M+NH4]+ 313.14075 181.5
[M+K]+ 334.07009 175.2
[M+H-H2O]+ 278.10419 158.7
[M+HCOO]- 340.10513 184.9
[M+CH3COO]- 354.12078 179.5
[M+Na-2H]- 316.08160 176.6
[M]+ 295.10638 173.9
[M]- 295.10748 173.9
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.