CID 148129

129050-99-3

Structural Information

Molecular Formula
C24H30N4O2
SMILES
CN1CCN=C1C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C4=NCCN4C
InChI
InChI=1S/C24H30N4O2/c1-27-15-13-25-23(27)19-5-9-21(10-6-19)29-17-3-4-18-30-22-11-7-20(8-12-22)24-26-14-16-28(24)2/h5-12H,3-4,13-18H2,1-2H3
InChIKey
DQARQWWIFDLJKS-UHFFFAOYSA-N
Compound name
1-methyl-2-[4-[4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.23688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.244156 199.7
[M+Na]+ 429.226098 205.2
[M-H]- 405.229604 207.0
[M+NH4]+ 424.270703 207.8
[M+K]+ 445.200038 199.3
[M+H-H2O]+ 389.234140 186.9
[M+HCOO]- 451.235081 216.8
[M+CH3COO]- 465.250731 207.7
[M+Na-2H]- 427.211546 196.1
[M]+ 406.23633142 201.8
[M]- 406.23742858 201.8
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.