CID 9574766

N'-ethoxy-4-[5-[4-[(z)-n'-ethoxycarbamimidoyl]phenyl]-2-furyl]benzamidine

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCO/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OCC)/N
InChI
InChI=1S/C22H24N4O3/c1-3-27-25-21(23)17-9-5-15(6-10-17)19-13-14-20(29-19)16-7-11-18(12-8-16)22(24)26-28-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKey
ONCFTTNZEWQYPY-UHFFFAOYSA-N
Compound name
N'-ethoxy-4-[5-[4-[(Z)-N'-ethoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 197.0
[M+Na]+ 415.17406 201.0
[M-H]- 391.17756 209.1
[M+NH4]+ 410.21866 207.7
[M+K]+ 431.14800 198.9
[M+H-H2O]+ 375.18210 186.3
[M+HCOO]- 437.18304 224.5
[M+CH3COO]- 451.19869 234.5
[M+Na-2H]- 413.15951 197.8
[M]+ 392.18429 199.2
[M]- 392.18539 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.