CID 3079073

Brn 6000250

Structural Information

Molecular Formula
C24H29N3O2
SMILES
C1CN(CCC12C(=O)N(C(=O)N2)CCCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H29N3O2/c28-22-24(14-18-26(19-15-24)17-13-21-10-5-2-6-11-21)25-23(29)27(22)16-7-12-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,25,29)
InChIKey
VTOBIPOJIXOIFX-UHFFFAOYSA-N
Compound name
8-(2-phenylethyl)-3-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.22598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.233256 198.9
[M+Na]+ 414.215198 202.8
[M-H]- 390.218704 203.8
[M+NH4]+ 409.259803 208.4
[M+K]+ 430.189138 195.1
[M+H-H2O]+ 374.223240 186.5
[M+HCOO]- 436.224181 211.2
[M+CH3COO]- 450.239831 205.4
[M+Na-2H]- 412.200646 197.2
[M]+ 391.22543142 192.9
[M]- 391.22652858 192.9
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.