CID 139370187

Tert-butyl 10-hydroxy-10-((2-oxopiperazin-1-yl)methyl)-7-azaspiro(4.5)decane-7-carboxylate

Structural Information

Molecular Formula
C19H33N3O4
SMILES
CC(C)(C)OC(=O)N1CCC(C2(C1)CCCC2)(CN3CCNCC3=O)O
InChI
InChI=1S/C19H33N3O4/c1-17(2,3)26-16(24)22-10-8-19(25,18(13-22)6-4-5-7-18)14-21-11-9-20-12-15(21)23/h20,25H,4-14H2,1-3H3
InChIKey
YAAAEPNQQDLPBA-UHFFFAOYSA-N
Compound name
tert-butyl 10-hydroxy-10-[(2-oxopiperazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

367.2471 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25438 192.8
[M+Na]+ 390.23632 194.4
[M-H]- 366.23982 192.9
[M+NH4]+ 385.28092 205.1
[M+K]+ 406.21026 191.4
[M+H-H2O]+ 350.24436 184.9
[M+HCOO]- 412.24530 197.6
[M+CH3COO]- 426.26095 207.0
[M+Na-2H]- 388.22177 191.2
[M]+ 367.24655 183.8
[M]- 367.24765 183.8
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

patents stripe