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 162.4
[M+Na]+ 292.16317 165.2
[M-H]- 268.16667 160.4
[M+NH4]+ 287.20777 173.6
[M+K]+ 308.13711 166.5
[M+H-H2O]+ 252.17121 154.2
[M+HCOO]- 314.17215 169.9
[M+CH3COO]- 328.18780 193.2
[M+Na-2H]- 290.14862 164.2
[M]+ 269.17340 153.0
[M]- 269.17450 153.0
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.