CID 6482347

Chembl271963

Structural Information

Molecular Formula
C21H28N4O2
SMILES
COC1=CC=C(C=C1)N2CCN(C2)CN3CCN(C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H28N4O2/c1-26-20-7-3-18(4-8-20)24-13-11-22(16-24)15-23-12-14-25(17-23)19-5-9-21(27-2)10-6-19/h3-10H,11-17H2,1-2H3
InChIKey
MKFDWUIPXPISCN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)imidazolidin-1-yl]methyl]imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 189.6
[M+Na]+ 391.21044 194.5
[M-H]- 367.21394 196.7
[M+NH4]+ 386.25504 199.2
[M+K]+ 407.18438 189.6
[M+H-H2O]+ 351.21848 177.3
[M+HCOO]- 413.21942 205.0
[M+CH3COO]- 427.23507 197.9
[M+Na-2H]- 389.19589 185.5
[M]+ 368.22067 188.0
[M]- 368.22177 188.0
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

No patent data available for this compound.