CID 722608

2-bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
C1CCC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC1
InChI
InChI=1S/C13H13BrN2O/c14-9-5-6-11-10(8-9)13(17)16-7-3-1-2-4-12(16)15-11/h5-6,8H,1-4,7H2
InChIKey
UVXPVYCKBNPTSQ-UHFFFAOYSA-N
Compound name
2-bromo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

292.02112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 153.6
[M+Na]+ 315.01034 164.6
[M-H]- 291.01384 160.1
[M+NH4]+ 310.05494 171.6
[M+K]+ 330.98428 156.8
[M+H-H2O]+ 275.01838 153.1
[M+HCOO]- 337.01932 169.1
[M+CH3COO]- 351.03497 166.8
[M+Na-2H]- 312.99579 162.1
[M]+ 292.02057 167.5
[M]- 292.02167 167.5
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.