CID 212324

Brn 0564475

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C17H15BrN2O2/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)20(8-9-22-17)11-16(21)19-15/h1-7,10H,8-9,11H2,(H,19,21)
InChIKey
FWYFXPYYOJRADJ-UHFFFAOYSA-N
Compound name
10-bromo-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.03168 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 176.3
[M+Na]+ 381.02090 186.5
[M-H]- 357.02440 184.9
[M+NH4]+ 376.06550 192.9
[M+K]+ 396.99484 178.0
[M+H-H2O]+ 341.02894 175.2
[M+HCOO]- 403.02988 189.2
[M+CH3COO]- 417.04553 187.9
[M+Na-2H]- 379.00635 181.6
[M]+ 358.03113 189.1
[M]- 358.03223 189.1
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.