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]+ 575.276476 239.7
[M+Na]+ 597.258418 240.3
[M-H]- 573.261924 253.2
[M+NH4]+ 592.303023 238.2
[M+K]+ 613.232358 236.1
[M+H-H2O]+ 557.266460 225.9
[M+HCOO]- 619.267401 258.6
[M+CH3COO]- 633.283051 244.2
[M+Na-2H]- 595.243866 238.0
[M]+ 574.26865142 239.7
[M]- 574.26974858 239.7
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.