CID 6410733

8-(1-methylethyl)pyrido(2,1-b)-1,2,3-triazolo(4,5-g)quinazolin-11(1h)-one

Structural Information

Molecular Formula
C15H13N5O
SMILES
CC(C)C1=CN2C(=NC3=CC4=NNN=C4C=C3C2=O)C=C1
InChI
InChI=1S/C15H13N5O/c1-8(2)9-3-4-14-16-11-6-13-12(17-19-18-13)5-10(11)15(21)20(14)7-9/h3-8H,1-2H3,(H,17,18,19)
InChIKey
UEKVWVGTQHAXAE-UHFFFAOYSA-N
Compound name
6-propan-2-yl-2,8,13,14,15-pentazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.112 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11928 163.8
[M+Na]+ 302.10122 181.3
[M+NH4]+ 297.14582 171.2
[M+K]+ 318.07516 175.6
[M-H]- 278.10472 164.8
[M+Na-2H]- 300.08667 170.1
[M]+ 279.11145 166.7
[M]- 279.11255 166.7
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.