CID 494319

Nsc602943

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCOC(=O)C1C2CCCC3N2C(CCC3)C(C1=O)C(=O)OC
InChI
InChI=1S/C17H25NO5/c1-3-23-17(21)14-12-9-5-7-10-6-4-8-11(18(10)12)13(15(14)19)16(20)22-2/h10-14H,3-9H2,1-2H3
InChIKey
BUANTXPATFEOJA-UHFFFAOYSA-N
Compound name
4-O-ethyl 2-O-methyl 3-oxo-13-azatricyclo[7.3.1.05,13]tridecane-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18056 174.5
[M+Na]+ 346.16250 177.3
[M-H]- 322.16600 175.5
[M+NH4]+ 341.20710 189.2
[M+K]+ 362.13644 175.7
[M+H-H2O]+ 306.17054 167.0
[M+HCOO]- 368.17148 183.8
[M+CH3COO]- 382.18713 210.5
[M+Na-2H]- 344.14795 173.7
[M]+ 323.17273 172.3
[M]- 323.17383 172.3
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.