CID 212322

Brn 0564305

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C17H15ClN2O2/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
RXBFMQCMKZAQJL-UHFFFAOYSA-N
Compound name
10-chloro-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

5
Patents

314.0822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 171.2
[M+Na]+ 337.07142 180.6
[M-H]- 313.07492 177.2
[M+NH4]+ 332.11602 186.8
[M+K]+ 353.04536 177.3
[M+H-H2O]+ 297.07946 162.7
[M+HCOO]- 359.08040 181.6
[M+CH3COO]- 373.09605 181.5
[M+Na-2H]- 335.05687 175.5
[M]+ 314.08165 167.8
[M]- 314.08275 167.8
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