CID 145913313

2377005-04-2

Structural Information

Molecular Formula
C13H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)N[C@H]2[C@@H]1CCNC2
InChI
InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-7-5-11(17)15-9-8-14-6-4-10(9)16/h9-10,14H,4-8H2,1-3H3,(H,15,17)/t9-,10+/m1/s1
InChIKey
GFMSONJYXQMDJR-ZJUUUORDSA-N
Compound name
tert-butyl (5aR,9aS)-4-oxo-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-b][1,4]diazepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17395 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 162.6
[M+Na]+ 292.16317 168.1
[M+NH4]+ 287.20777 166.6
[M+K]+ 308.13711 166.6
[M-H]- 268.16667 159.6
[M+Na-2H]- 290.14862 162.5
[M]+ 269.17340 162.0
[M]- 269.17450 162.0
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.