CID 449429

2,5-bis{[4-(n-ethylamidino)]phenyl}furan

Structural Information

Molecular Formula
C22H24N4O
SMILES
CCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCC)N)N
InChI
InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKey
UDRBFQQQLONWPG-UHFFFAOYSA-N
Compound name
N'-ethyl-4-[5-[4-(N'-ethylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

360.195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 192.0
[M+Na]+ 383.18422 196.5
[M-H]- 359.18772 204.1
[M+NH4]+ 378.22882 204.3
[M+K]+ 399.15816 192.9
[M+H-H2O]+ 343.19226 181.8
[M+HCOO]- 405.19320 219.1
[M+CH3COO]- 419.20885 230.1
[M+Na-2H]- 381.16967 192.4
[M]+ 360.19445 191.5
[M]- 360.19555 191.5
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.