CID 3049882

Dtxsid30215625

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCOC(=O)[C@H]1CC(=O)N2C3=CC=CC=C3C4=C2[C@H]1N(CC4)C
InChI
InChI=1S/C18H20N2O3/c1-3-23-18(22)13-10-15(21)20-14-7-5-4-6-11(14)12-8-9-19(2)16(13)17(12)20/h4-7,13,16H,3,8-10H2,1-2H3/t13-,16-/m0/s1
InChIKey
GLIOHEDJTIBUSF-BBRMVZONSA-N
Compound name
ethyl (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

312.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.6
[M+Na]+ 335.13662 185.6
[M+NH4]+ 330.18122 180.8
[M+K]+ 351.11056 180.3
[M-H]- 311.14012 173.8
[M+Na-2H]- 333.12207 174.2
[M]+ 312.14685 174.7
[M]- 312.14795 174.7
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.