CID 13340114

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

Structural Information

Molecular Formula
C15H13N5O
SMILES
CC(C)C1=CC2=C(C=C1)N=C3C=CC4=NNN=C4N3C2=O
InChI
InChI=1S/C15H13N5O/c1-8(2)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
RGSSUXLHNZDQQO-UHFFFAOYSA-N
Compound name
6-propan-2-yl-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

279.112 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11928 165.8
[M+Na]+ 302.10122 179.7
[M-H]- 278.10472 166.1
[M+NH4]+ 297.14582 179.7
[M+K]+ 318.07516 172.2
[M+H-H2O]+ 262.10926 156.2
[M+HCOO]- 324.11020 182.2
[M+CH3COO]- 338.12585 177.1
[M+Na-2H]- 300.08667 173.9
[M]+ 279.11145 170.0
[M]- 279.11255 170.0
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.