CID 3079072

Brn 6000557

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN(CCC12C(=O)N(C(=O)N2)CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21-23(24-22(28)26(21)16-12-20-9-5-2-6-10-20)13-17-25(18-14-23)15-11-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,24,28)
InChIKey
NYUBXDKVLVPBNE-UHFFFAOYSA-N
Compound name
3,8-bis(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 194.8
[M+Na]+ 400.199548 199.1
[M-H]- 376.203054 199.9
[M+NH4]+ 395.244153 204.9
[M+K]+ 416.173488 191.6
[M+H-H2O]+ 360.207590 182.6
[M+HCOO]- 422.208531 207.4
[M+CH3COO]- 436.224181 201.7
[M+Na-2H]- 398.184996 193.6
[M]+ 377.20978142 188.4
[M]- 377.21087858 188.4
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.