CID 11303220

415678-40-9

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1=CC=C(O1)[C@H]2N[C@H](C(=O)N2C)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1
InChIKey
IQIMPHPFMHVWBZ-ZFWWWQNUSA-N
Compound name
(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

270.13684 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.6
[M+Na]+ 293.12606 171.0
[M-H]- 269.12956 169.8
[M+NH4]+ 288.17066 178.0
[M+K]+ 309.10000 167.2
[M+H-H2O]+ 253.13410 154.9
[M+HCOO]- 315.13504 182.0
[M+CH3COO]- 329.15069 174.6
[M+Na-2H]- 291.11151 161.8
[M]+ 270.13629 162.2
[M]- 270.13739 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe