CID 212024

23804-80-0

Structural Information

Molecular Formula
C15H21N3O2
SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC=C(C=C3)N
InChI
InChI=1S/C15H21N3O2/c16-13-3-1-12(2-4-13)5-8-18-9-6-15(7-10-18)11-17-14(19)20-15/h1-4H,5-11,16H2,(H,17,19)
InChIKey
NTMFJZKPNPTJHA-UHFFFAOYSA-N
Compound name
8-[2-(4-aminophenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 165.0
[M+Na]+ 298.15262 169.8
[M-H]- 274.15612 169.0
[M+NH4]+ 293.19722 179.4
[M+K]+ 314.12656 166.0
[M+H-H2O]+ 258.16066 156.1
[M+HCOO]- 320.16160 179.9
[M+CH3COO]- 334.17725 174.4
[M+Na-2H]- 296.13807 167.1
[M]+ 275.16285 157.6
[M]- 275.16395 157.6
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