CID 380316

Nsc665795

Structural Information

Molecular Formula
C23H33N3O5
SMILES
CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)C(=O)OCC
InChI
InChI=1S/C23H33N3O5/c1-4-30-20(27)19(21(28)31-5-2)11-14-25-15-12-23(13-16-25)22(29)24(3)17-26(23)18-9-7-6-8-10-18/h6-10,19H,4-5,11-17H2,1-3H3
InChIKey
WRXQBADSHWKVSI-UHFFFAOYSA-N
Compound name
diethyl 2-[2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.24203 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24931 204.8
[M+Na]+ 454.23125 207.2
[M-H]- 430.23475 207.9
[M+NH4]+ 449.27585 213.6
[M+K]+ 470.20519 204.6
[M+H-H2O]+ 414.23929 194.6
[M+HCOO]- 476.24023 215.5
[M+CH3COO]- 490.25588 227.0
[M+Na-2H]- 452.21670 199.9
[M]+ 431.24148 204.8
[M]- 431.24258 204.8
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

No patent data available for this compound.