CID 445329

192525-51-2

Structural Information

Molecular Formula
C28H32N4O
SMILES
C1CCC(C1)N=C(C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C(=NC5CCCC5)N)N
InChI
InChI=1S/C28H32N4O/c29-27(31-23-5-1-2-6-23)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24-7-3-4-8-24/h9-18,23-24H,1-8H2,(H2,29,31)(H2,30,32)
InChIKey
QWOAXYIWWNHZBQ-UHFFFAOYSA-N
Compound name
N'-cyclopentyl-4-[5-[4-(N'-cyclopentylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

16
Patents

440.2576 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.26488 204.5
[M+Na]+ 463.24682 204.2
[M-H]- 439.25032 221.7
[M+NH4]+ 458.29142 215.8
[M+K]+ 479.22076 200.4
[M+H-H2O]+ 423.25486 195.0
[M+HCOO]- 485.25580 228.0
[M+CH3COO]- 499.27145 212.6
[M+Na-2H]- 461.23227 198.4
[M]+ 440.25705 197.7
[M]- 440.25815 197.7
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

patents stripe