CID 2734795

Einecs 281-108-7

Structural Information

Molecular Formula
C17H23N3O4
SMILES
CCOC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)CO
InChI
InChI=1S/C17H23N3O4/c1-2-24-16(23)18-10-8-17(9-11-18)15(22)19(13-21)12-20(17)14-6-4-3-5-7-14/h3-7,21H,2,8-13H2,1H3
InChIKey
GNRUADBGDJQTSK-UHFFFAOYSA-N
Compound name
ethyl 3-(hydroxymethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.16885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.176126 179.6
[M+Na]+ 356.158068 184.9
[M-H]- 332.161574 182.4
[M+NH4]+ 351.202673 192.2
[M+K]+ 372.132008 181.3
[M+H-H2O]+ 316.166110 170.0
[M+HCOO]- 378.167051 192.5
[M+CH3COO]- 392.182701 203.9
[M+Na-2H]- 354.143516 178.9
[M]+ 333.16830142 176.2
[M]- 333.16939858 176.2
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