CID 147656

3,3'-(1,6-hexanediylbis(oxy))bis-benzenecarboximidamide

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1=CC(=CC(=C1)OCCCCCCOC2=CC=CC(=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C20H26N4O2/c21-19(22)15-7-5-9-17(13-15)25-11-3-1-2-4-12-26-18-10-6-8-16(14-18)20(23)24/h5-10,13-14H,1-4,11-12H2,(H3,21,22)(H3,23,24)
InChIKey
VHMMXGSRKCGGJH-UHFFFAOYSA-N
Compound name
3-[6-(3-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

354.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 185.7
[M+Na]+ 377.19479 187.7
[M-H]- 353.19829 190.4
[M+NH4]+ 372.23939 196.1
[M+K]+ 393.16873 183.3
[M+H-H2O]+ 337.20283 175.8
[M+HCOO]- 399.20377 209.5
[M+CH3COO]- 413.21942 226.1
[M+Na-2H]- 375.18024 186.4
[M]+ 354.20502 182.9
[M]- 354.20612 182.9
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.