CID 147654

4,4'-(1,2-ethanediylbis(oxy))bis-benzenecarboximidamide

Structural Information

Molecular Formula
C16H18N4O2
SMILES
C1=CC(=CC=C1C(=N)N)OCCOC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C16H18N4O2/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20)
InChIKey
PWLGDGGFMJVYHP-UHFFFAOYSA-N
Compound name
4-[2-(4-carbamimidoylphenoxy)ethoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

298.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 168.4
[M+Na]+ 321.13219 172.3
[M-H]- 297.13569 173.9
[M+NH4]+ 316.17679 181.2
[M+K]+ 337.10613 168.6
[M+H-H2O]+ 281.14023 159.3
[M+HCOO]- 343.14117 193.6
[M+CH3COO]- 357.15682 214.2
[M+Na-2H]- 319.11764 171.1
[M]+ 298.14242 164.3
[M]- 298.14352 164.3
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.