CID 212323

24143-24-6

Structural Information

Molecular Formula
C18H17BrN2O2
SMILES
CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Br
InChI
InChI=1S/C18H17BrN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKey
IPUZAFAOWGNYHM-UHFFFAOYSA-N
Compound name
10-bromo-2-methyl-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

372.04733 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05461 179.6
[M+Na]+ 395.03655 182.4
[M+NH4]+ 390.08115 184.6
[M+K]+ 411.01049 182.1
[M-H]- 371.04005 181.8
[M+Na-2H]- 393.02200 181.7
[M]+ 372.04678 179.7
[M]- 372.04788 179.7
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.