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]+ 392.23326 198.9
[M+Na]+ 414.21520 202.8
[M-H]- 390.21870 203.8
[M+NH4]+ 409.25980 208.4
[M+K]+ 430.18914 195.1
[M+H-H2O]+ 374.22324 186.5
[M+HCOO]- 436.22418 211.2
[M+CH3COO]- 450.23983 205.4
[M+Na-2H]- 412.20065 197.2
[M]+ 391.22543 192.9
[M]- 391.22653 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.