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]+ 344.23326 184.6
[M+Na]+ 366.21520 188.7
[M-H]- 342.21870 190.8
[M+NH4]+ 361.25980 199.3
[M+K]+ 382.18914 184.9
[M+H-H2O]+ 326.22324 174.6
[M+HCOO]- 388.22418 201.5
[M+CH3COO]- 402.23983 216.8
[M+Na-2H]- 364.20065 183.6
[M]+ 343.22543 181.9
[M]- 343.22653 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.