CID 120505

3'-(2-diethylaminoethyl)-1'-phenylcyclohexanespiro-5'-hydantoin hydrochloride

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CCN(CC)CCN1C(=O)C2(CCCCC2)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H29N3O2/c1-3-21(4-2)15-16-22-18(24)20(13-9-6-10-14-20)23(19(22)25)17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
REPOAXGKTGAVRB-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.233256 184.6
[M+Na]+ 366.215198 188.7
[M-H]- 342.218704 190.8
[M+NH4]+ 361.259803 199.3
[M+K]+ 382.189138 184.9
[M+H-H2O]+ 326.223240 174.6
[M+HCOO]- 388.224181 201.5
[M+CH3COO]- 402.239831 216.8
[M+Na-2H]- 364.200646 183.6
[M]+ 343.22543142 181.9
[M]- 343.22652858 181.9
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.