CID 3053755

70384-92-8

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C15H17ClN2O2/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
MJRPHRMGEKCADU-UHFFFAOYSA-N
Compound name
6-chloro-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

7
References

3
Patents

292.09787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 166.3
[M+Na]+ 315.08709 180.6
[M+NH4]+ 310.13169 177.1
[M+K]+ 331.06103 170.7
[M-H]- 291.09059 170.2
[M+Na-2H]- 313.07254 170.3
[M]+ 292.09732 169.9
[M]- 292.09842 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.