CID 208801

7,8,9,10,10a,11-hexahydro-13h-pyrido(1',2':3,4)imidazo(2,1-b)quinazolin-13-one hydrochloride

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1CCN2C(C1)CN3C2=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C14H15N3O/c18-13-11-6-1-2-7-12(11)15-14-16-8-4-3-5-10(16)9-17(13)14/h1-2,6-7,10H,3-5,8-9H2
InChIKey
VKHVWEQGHQFEOG-UHFFFAOYSA-N
Compound name
1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 153.8
[M+Na]+ 264.110718 162.9
[M-H]- 240.114224 155.7
[M+NH4]+ 259.155323 172.0
[M+K]+ 280.084658 157.4
[M+H-H2O]+ 224.118760 144.6
[M+HCOO]- 286.119701 168.8
[M+CH3COO]- 300.135351 165.0
[M+Na-2H]- 262.096166 159.7
[M]+ 241.12095142 151.4
[M]- 241.12204858 151.4
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.