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 183.8
[M+Na]+ 377.14718 191.1
[M-H]- 353.15068 186.2
[M+NH4]+ 372.19178 199.0
[M+K]+ 393.12112 186.7
[M+H-H2O]+ 337.15522 175.5
[M+HCOO]- 399.15616 196.7
[M+CH3COO]- 413.17181 217.9
[M+Na-2H]- 375.13263 184.2
[M]+ 354.15741 187.1
[M]- 354.15851 187.1
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.