CID 380367

Nsc665888

Structural Information

Molecular Formula
C24H31N3O3S
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=CS4)C5=CC=CC=C5
InChI
InChI=1S/C24H31N3O3S/c1-25-19-27(20-7-3-2-4-8-20)23(22(25)28)11-14-26(15-12-23)13-6-10-24(29-16-17-30-24)21-9-5-18-31-21/h2-5,7-9,18H,6,10-17,19H2,1H3
InChIKey
LHEALNCPBFTZHK-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.20862 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.21590 201.9
[M+Na]+ 464.19784 207.6
[M-H]- 440.20134 213.7
[M+NH4]+ 459.24244 214.2
[M+K]+ 480.17178 205.5
[M+H-H2O]+ 424.20588 194.3
[M+HCOO]- 486.20682 210.8
[M+CH3COO]- 500.22247 210.2
[M+Na-2H]- 462.18329 195.3
[M]+ 441.20807 201.3
[M]- 441.20917 201.3
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.