CID 445663

Chembl280419

Structural Information

Molecular Formula
C26H28N4O
SMILES
C1CC(C1)N=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NC5CCC5)N)N
InChI
InChI=1S/C26H28N4O/c27-25(29-21-3-1-4-21)19-11-7-17(8-12-19)23-15-16-24(31-23)18-9-13-20(14-10-18)26(28)30-22-5-2-6-22/h7-16,21-22H,1-6H2,(H2,27,29)(H2,28,30)
InChIKey
JOSNBTJJANFCBM-UHFFFAOYSA-N
Compound name
N'-cyclobutyl-4-[5-[4-(N'-cyclobutylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

412.22632 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 196.0
[M+Na]+ 435.21554 194.1
[M-H]- 411.21904 210.1
[M+NH4]+ 430.26014 192.6
[M+K]+ 451.18948 197.7
[M+H-H2O]+ 395.22358 173.5
[M+HCOO]- 457.22452 215.4
[M+CH3COO]- 471.24017 243.8
[M+Na-2H]- 433.20099 192.9
[M]+ 412.22577 206.9
[M]- 412.22687 206.9
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.