CID 155822598

2503202-51-3

Structural Information

Molecular Formula
C20H26N2O5
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CN(C2)C(=O)OCC3=CC=CC=C3)C=O
InChI
InChI=1S/C20H26N2O5/c1-19(2,3)27-18(25)22-16-9-10-20(22,14-23)13-21(11-16)17(24)26-12-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKey
ZBZUZVUAMAKVGR-UHFFFAOYSA-N
Compound name
3-O-benzyl 8-O-tert-butyl 1-formyl-3,8-diazabicyclo[3.2.1]octane-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.18417 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19145 190.9
[M+Na]+ 397.17339 195.5
[M-H]- 373.17689 193.3
[M+NH4]+ 392.21799 205.2
[M+K]+ 413.14733 193.4
[M+H-H2O]+ 357.18143 183.3
[M+HCOO]- 419.18237 203.0
[M+CH3COO]- 433.19802 213.9
[M+Na-2H]- 395.15884 192.4
[M]+ 374.18362 192.9
[M]- 374.18472 192.9
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