CID 58842

101756-24-5

Structural Information

Molecular Formula
C23H35N3O4
SMILES
CCOC(=O)C(CCN1CCC2(CC1)CN(CN2C3=CC=CC=C3)C)C(=O)OCC
InChI
InChI=1S/C23H35N3O4/c1-4-29-21(27)20(22(28)30-5-2)11-14-25-15-12-23(13-16-25)17-24(3)18-26(23)19-9-7-6-8-10-19/h6-10,20H,4-5,11-18H2,1-3H3
InChIKey
LBBJVEWINJPWRQ-UHFFFAOYSA-N
Compound name
diethyl 2-[2-(3-methyl-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

417.26276 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.27004 204.1
[M+Na]+ 440.25198 205.5
[M-H]- 416.25548 206.8
[M+NH4]+ 435.29658 213.4
[M+K]+ 456.22592 202.7
[M+H-H2O]+ 400.26002 193.4
[M+HCOO]- 462.26096 214.4
[M+CH3COO]- 476.27661 224.2
[M+Na-2H]- 438.23743 199.4
[M]+ 417.26221 202.9
[M]- 417.26331 202.9
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

No patent data available for this compound.