CID 3053758

70384-96-2

Structural Information

Molecular Formula
C15H17BrN2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Br
InChI
InChI=1S/C15H17BrN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)
InChIKey
LWJREGVCRQEVHH-UHFFFAOYSA-N
Compound name
6-bromo-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04733 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.054606 171.5
[M+Na]+ 359.036548 180.9
[M-H]- 335.040054 176.0
[M+NH4]+ 354.081153 188.7
[M+K]+ 375.010488 169.8
[M+H-H2O]+ 319.044590 169.3
[M+HCOO]- 381.045531 178.9
[M+CH3COO]- 395.061181 182.3
[M+Na-2H]- 357.021996 177.7
[M]+ 336.04678142 184.9
[M]- 336.04787858 184.9
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.