CID 150775

Benzenecarboximidamide, 3,3'-(1,5-pentanediylbis(oxy))bis-

Structural Information

Molecular Formula
C19H24N4O2
SMILES
C1=CC(=CC(=C1)OCCCCCOC2=CC=CC(=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C19H24N4O2/c20-18(21)14-6-4-8-16(12-14)24-10-2-1-3-11-25-17-9-5-7-15(13-17)19(22)23/h4-9,12-13H,1-3,10-11H2,(H3,20,21)(H3,22,23)
InChIKey
PASMXCHSIJZQBM-UHFFFAOYSA-N
Compound name
3-[5-(3-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

340.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 181.4
[M+Na]+ 363.17912 183.9
[M-H]- 339.18262 186.3
[M+NH4]+ 358.22372 192.4
[M+K]+ 379.15306 179.6
[M+H-H2O]+ 323.18716 171.7
[M+HCOO]- 385.18810 205.5
[M+CH3COO]- 399.20375 223.2
[M+Na-2H]- 361.16457 182.6
[M]+ 340.18935 178.3
[M]- 340.19045 178.3
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

patents stripe