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

1
Patents

372.04733 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.054606 180.7
[M+Na]+ 395.036548 191.2
[M-H]- 371.040054 189.5
[M+NH4]+ 390.081153 197.0
[M+K]+ 411.010488 182.6
[M+H-H2O]+ 355.044590 179.5
[M+HCOO]- 417.045531 193.2
[M+CH3COO]- 431.061181 192.1
[M+Na-2H]- 393.021996 184.9
[M]+ 372.04678142 194.1
[M]- 372.04787858 194.1
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

patents stripe