CID 3053763

70385-06-7

Structural Information

Molecular Formula
C17H19ClN2O4
SMILES
CCOC(=O)N1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C17H19ClN2O4/c1-2-23-16(22)20-6-5-17-13(9-20)11(8-15(21)19-17)12-7-10(18)3-4-14(12)24-17/h3-4,7,11,13H,2,5-6,8-9H2,1H3,(H,19,21)
InChIKey
KAZPBDXKTFYTNR-UHFFFAOYSA-N
Compound name
ethyl 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

350.10333 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11061 179.4
[M+Na]+ 373.09255 191.9
[M+NH4]+ 368.13715 188.3
[M+K]+ 389.06649 183.5
[M-H]- 349.09605 181.8
[M+Na-2H]- 371.07800 181.7
[M]+ 350.10278 182.1
[M]- 350.10388 182.1
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

No patent data available for this compound.