CID 83730198

1529349-14-1

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CC1C2=C(C=CC(=C2)Br)NC(=O)CN1
InChI
InChI=1S/C10H11BrN2O/c1-6-8-4-7(11)2-3-9(8)13-10(14)5-12-6/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKey
VJQFYFSOELYSKS-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 143.8
[M+Na]+ 276.99470 145.9
[M+NH4]+ 272.03930 147.5
[M+K]+ 292.96864 147.1
[M-H]- 252.99820 143.0
[M+Na-2H]- 274.98015 145.7
[M]+ 254.00493 142.6
[M]- 254.00603 142.6
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

No patent data available for this compound.