CID 3049888

Dtxsid50215627

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CC(=O)CCN1CCC2=C3[C@H]1[C@H](CC(=O)N3C4=CC=CC=C24)C(=O)OC
InChI
InChI=1S/C20H22N2O4/c1-12(23)7-9-21-10-8-14-13-5-3-4-6-16(13)22-17(24)11-15(20(25)26-2)18(21)19(14)22/h3-6,15,18H,7-11H2,1-2H3/t15-,18+/m0/s1
InChIKey
UQVGTODRFNIJEK-MAUKXSAKSA-N
Compound name
methyl (4S,5R)-2-oxo-6-(3-oxobutyl)-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

354.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 182.8
[M+Na]+ 377.14718 194.4
[M+NH4]+ 372.19178 189.5
[M+K]+ 393.12112 190.1
[M-H]- 353.15068 182.9
[M+Na-2H]- 375.13263 183.0
[M]+ 354.15741 184.2
[M]- 354.15851 184.2
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.