CID 6445058

2-(alpha-methylstyryl)-1,3-salicylimidazolidine

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C/C(=C\C1N(CCN1CC2=CC=CC=C2O)CC3=CC=CC=C3O)/C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O2/c1-20(21-9-3-2-4-10-21)17-26-27(18-22-11-5-7-13-24(22)29)15-16-28(26)19-23-12-6-8-14-25(23)30/h2-14,17,26,29-30H,15-16,18-19H2,1H3/b20-17+
InChIKey
LCQXJHFZEOSMDY-LVZFUZTISA-N
Compound name
2-[[3-[(2-hydroxyphenyl)methyl]-2-[(E)-2-phenylprop-1-enyl]imidazolidin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 200.2
[M+Na]+ 423.20432 204.4
[M-H]- 399.20782 207.1
[M+NH4]+ 418.24892 208.0
[M+K]+ 439.17826 196.3
[M+H-H2O]+ 383.21236 189.0
[M+HCOO]- 445.21330 214.8
[M+CH3COO]- 459.22895 207.3
[M+Na-2H]- 421.18977 196.9
[M]+ 400.21455 196.2
[M]- 400.21565 196.2
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.