CID 78144

4425-23-4

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1CCC2=NC3=CC=CC=C3C(=O)N2CC1
InChI
InChI=1S/C13H14N2O/c16-13-10-6-3-4-7-11(10)14-12-8-2-1-5-9-15(12)13/h3-4,6-7H,1-2,5,8-9H2
InChIKey
HTLIIBRHXAULMB-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

5
Patents

214.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 143.9
[M+Na]+ 237.09983 151.6
[M-H]- 213.10333 147.7
[M+NH4]+ 232.14443 161.0
[M+K]+ 253.07377 151.0
[M+H-H2O]+ 197.10787 136.8
[M+HCOO]- 259.10881 161.4
[M+CH3COO]- 273.12446 155.7
[M+Na-2H]- 235.08528 152.4
[M]+ 214.11006 139.6
[M]- 214.11116 139.6
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

patents stripe