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 180.7
[M+Na]+ 395.03655 191.2
[M-H]- 371.04005 189.5
[M+NH4]+ 390.08115 197.0
[M+K]+ 411.01049 182.6
[M+H-H2O]+ 355.04459 179.5
[M+HCOO]- 417.04553 193.2
[M+CH3COO]- 431.06118 192.1
[M+Na-2H]- 393.02200 184.9
[M]+ 372.04678 194.1
[M]- 372.04788 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