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

1
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

patents stripe