CID 459921

Ak.67s

Structural Information

Molecular Formula
C29H26N4O2
SMILES
CC1=CC=C(C=C1)OC2=C(OC(=C2)C3=CC=C(C=C3)C4=NCCN4)C5=CC=C(C=C5)C6=NCCN6
InChI
InChI=1S/C29H26N4O2/c1-19-2-12-24(13-3-19)34-26-18-25(20-4-8-22(9-5-20)28-30-14-15-31-28)35-27(26)21-6-10-23(11-7-21)29-32-16-17-33-29/h2-13,18H,14-17H2,1H3,(H,30,31)(H,32,33)
InChIKey
BUIWEUZXAKFRPY-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-methylphenoxy)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

462.20557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21285 205.0
[M+Na]+ 485.19479 210.6
[M-H]- 461.19829 217.9
[M+NH4]+ 480.23939 209.3
[M+K]+ 501.16873 203.3
[M+H-H2O]+ 445.20283 193.5
[M+HCOO]- 507.20377 219.8
[M+CH3COO]- 521.21942 212.4
[M+Na-2H]- 483.18024 198.7
[M]+ 462.20502 202.4
[M]- 462.20612 202.4
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.