CID 3049863

Dtxsid10215623

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CN1CCC2=C3[C@@H]1[C@H](CC(=O)N3C4=CC=CC=C24)C(=O)OC
InChI
InChI=1S/C17H18N2O3/c1-18-8-7-11-10-5-3-4-6-13(10)19-14(20)9-12(17(21)22-2)15(18)16(11)19/h3-6,12,15H,7-9H2,1-2H3/t12-,15-/m0/s1
InChIKey
DLLCGQXBYZLPSB-WFASDCNBSA-N
Compound name
methyl (4S,5S)-6-methyl-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.1
[M+Na]+ 321.12096 181.3
[M+NH4]+ 316.16556 176.4
[M+K]+ 337.09490 176.3
[M-H]- 297.12446 169.3
[M+Na-2H]- 319.10641 170.0
[M]+ 298.13119 170.2
[M]- 298.13229 170.2
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.