CID 460066

2,5-bis-[4-(n-allyl)amidinophenyl]furan

Structural Information

Molecular Formula
C24H24N4O
SMILES
C=CCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCC=C)N)N
InChI
InChI=1S/C24H24N4O/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/h3-14H,1-2,15-16H2,(H2,25,27)(H2,26,28)
InChIKey
JMZQPIGBDHCGGO-UHFFFAOYSA-N
Compound name
N'-prop-2-enyl-4-[5-[4-(N'-prop-2-enylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.195 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 199.4
[M+Na]+ 407.18422 203.6
[M-H]- 383.18772 211.1
[M+NH4]+ 402.22882 210.5
[M+K]+ 423.15816 198.4
[M+H-H2O]+ 367.19226 188.9
[M+HCOO]- 429.19320 226.2
[M+CH3COO]- 443.20885 234.6
[M+Na-2H]- 405.16967 198.7
[M]+ 384.19445 198.1
[M]- 384.19555 198.1
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.