CID 135530739

Db-766

Structural Information

Molecular Formula
C34H34N6O3
SMILES
CC(C)OC1=C(C=CC(=C1)NC(=N)C2=CC=CC=N2)C3=CC=C(O3)C4=C(C=C(C=C4)NC(=N)C5=CC=CC=N5)OC(C)C
InChI
InChI=1S/C34H34N6O3/c1-21(2)41-31-19-23(39-33(35)27-9-5-7-17-37-27)11-13-25(31)29-15-16-30(43-29)26-14-12-24(20-32(26)42-22(3)4)40-34(36)28-10-6-8-18-38-28/h5-22H,1-4H3,(H2,35,39)(H2,36,40)
InChIKey
QCFKWNGTLZQXRE-UHFFFAOYSA-N
Compound name
N-[3-propan-2-yloxy-4-[5-[2-propan-2-yloxy-4-(pyridine-2-carboximidoylamino)phenyl]furan-2-yl]phenyl]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

574.2692 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27648 244.8
[M+Na]+ 597.25842 256.8
[M+NH4]+ 592.30302 248.4
[M+K]+ 613.23236 251.8
[M-H]- 573.26192 255.9
[M+Na-2H]- 595.24387 254.5
[M]+ 574.26865 249.4
[M]- 574.26975 249.4
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.