CID 3053764

70385-07-8

Structural Information

Molecular Formula
C16H17ClN2O4
SMILES
COC(=O)N1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C16H17ClN2O4/c1-22-15(21)19-5-4-16-12(8-19)10(7-14(20)18-16)11-6-9(17)2-3-13(11)23-16/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,18,20)
InChIKey
WKKFWXGDNGHGRZ-UHFFFAOYSA-N
Compound name
methyl 6-chloro-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-12-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09496 174.9
[M+Na]+ 359.07690 187.6
[M+NH4]+ 354.12150 184.0
[M+K]+ 375.05084 179.5
[M-H]- 335.08040 177.4
[M+Na-2H]- 357.06235 177.5
[M]+ 336.08713 177.7
[M]- 336.08823 177.7
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.