CID 24957158

1009119-83-8

Structural Information

Molecular Formula
C26H28N6
SMILES
C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6
InChI
InChI=1S/C26H28N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChIKey
UXYVOBIJTHABEM-VXKWHMMOSA-N
Compound name
2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

424.23755 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.24483 198.7
[M+Na]+ 447.22677 211.0
[M+NH4]+ 442.27137 204.4
[M+K]+ 463.20071 211.8
[M-H]- 423.23027 205.1
[M+Na-2H]- 445.21222 208.1
[M]+ 424.23700 202.0
[M]- 424.23810 202.0
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

patents stripe