CID 456158

Chembl1161185

Structural Information

Molecular Formula
C25H32N4O4
SMILES
COC1=C(C=CC(=C1)C2=NCCN2)OCCCCCOC3=C(C=C(C=C3)C4=NCCN4)OC
InChI
InChI=1S/C25H32N4O4/c1-30-22-16-18(24-26-10-11-27-24)6-8-20(22)32-14-4-3-5-15-33-21-9-7-19(17-23(21)31-2)25-28-12-13-29-25/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
AQVOFTTZZWHYGR-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]pentoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

452.24237 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24965 206.9
[M+Na]+ 475.23159 210.4
[M-H]- 451.23509 211.7
[M+NH4]+ 470.27619 211.6
[M+K]+ 491.20553 204.4
[M+H-H2O]+ 435.23963 194.6
[M+HCOO]- 497.24057 221.1
[M+CH3COO]- 511.25622 225.7
[M+Na-2H]- 473.21704 202.9
[M]+ 452.24182 208.6
[M]- 452.24292 208.6
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.