CID 380991

475638-35-8

Structural Information

Molecular Formula
C15H18N2O3
SMILES
COC1=C(C=C2C(=C1)C(=O)N3CCCCCC3=N2)OC
InChI
InChI=1S/C15H18N2O3/c1-19-12-8-10-11(9-13(12)20-2)16-14-6-4-3-5-7-17(14)15(10)18/h8-9H,3-7H2,1-2H3
InChIKey
XDUNCLSLEFOXHI-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 159.3
[M+Na]+ 297.12096 167.5
[M-H]- 273.12446 163.5
[M+NH4]+ 292.16556 174.5
[M+K]+ 313.09490 168.2
[M+H-H2O]+ 257.12900 151.7
[M+HCOO]- 319.12994 176.4
[M+CH3COO]- 333.14559 170.6
[M+Na-2H]- 295.10641 165.4
[M]+ 274.13119 159.0
[M]- 274.13229 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.