CID 459923

Chembl24341

Structural Information

Molecular Formula
C24H28N4O
SMILES
CCCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCC)N)N
InChI
InChI=1S/C24H28N4O/c1-3-15-27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16-4-2/h5-14H,3-4,15-16H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKey
KKZXXQWHPJHCRD-UHFFFAOYSA-N
Compound name
N'-propyl-4-[5-[4-(N'-propylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

388.22632 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 200.9
[M+Na]+ 411.21554 204.5
[M-H]- 387.21904 212.6
[M+NH4]+ 406.26014 212.0
[M+K]+ 427.18948 200.5
[M+H-H2O]+ 371.22358 190.3
[M+HCOO]- 433.22452 227.3
[M+CH3COO]- 447.24017 236.0
[M+Na-2H]- 409.20099 200.2
[M]+ 388.22577 201.0
[M]- 388.22687 201.0
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.