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]+ 337.05461 171.5
[M+Na]+ 359.03655 180.9
[M-H]- 335.04005 176.0
[M+NH4]+ 354.08115 188.7
[M+K]+ 375.01049 169.8
[M+H-H2O]+ 319.04459 169.3
[M+HCOO]- 381.04553 178.9
[M+CH3COO]- 395.06118 182.3
[M+Na-2H]- 357.02200 177.7
[M]+ 336.04678 184.9
[M]- 336.04788 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.