CID 147805

4,4'-(1,6-hexanediyldiimino)bis-benzenecarboximidamide

Structural Information

Molecular Formula
C20H28N6
SMILES
C1=CC(=CC=C1C(=N)N)NCCCCCCNC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C20H28N6/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12,25-26H,1-4,13-14H2,(H3,21,22)(H3,23,24)
InChIKey
RHYWFDWSRHYNPS-UHFFFAOYSA-N
Compound name
4-[6-(4-carbamimidoylanilino)hexylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

352.23755 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24483 183.6
[M+Na]+ 375.22677 184.4
[M-H]- 351.23027 188.3
[M+NH4]+ 370.27137 193.6
[M+K]+ 391.20071 179.2
[M+H-H2O]+ 335.23481 173.5
[M+HCOO]- 397.23575 209.0
[M+CH3COO]- 411.25140 232.6
[M+Na-2H]- 373.21222 185.5
[M]+ 352.23700 176.9
[M]- 352.23810 176.9
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.