CID 57443394

958075-51-9

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CC2=C(C=CC(=C2)Br)NC(=O)C1N
InChI
InChI=1S/C10H11BrN2O/c11-7-2-4-9-6(5-7)1-3-8(12)10(14)13-9/h2,4-5,8H,1,3,12H2,(H,13,14)
InChIKey
MLCIKXLZQSZZQS-UHFFFAOYSA-N
Compound name
3-amino-7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

254.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 144.3
[M+Na]+ 276.99470 153.6
[M-H]- 252.99820 149.5
[M+NH4]+ 272.03930 162.6
[M+K]+ 292.96864 145.9
[M+H-H2O]+ 237.00274 144.0
[M+HCOO]- 299.00368 160.8
[M+CH3COO]- 313.01933 157.2
[M+Na-2H]- 274.98015 150.5
[M]+ 254.00493 154.6
[M]- 254.00603 154.6
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

patents stripe