CID 147804

4,4'-(1,5-pentanediyldiimino)bis-benzenecarboximidamide

Structural Information

Molecular Formula
C19H26N6
SMILES
C1=CC(=CC=C1C(=N)N)NCCCCCNC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C19H26N6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11,24-25H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey
VSJMHEKEUIXCLJ-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylanilino)pentylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.2219 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22918 179.5
[M+Na]+ 361.21112 180.8
[M-H]- 337.21462 184.4
[M+NH4]+ 356.25572 190.1
[M+K]+ 377.18506 175.8
[M+H-H2O]+ 321.21916 169.6
[M+HCOO]- 383.22010 205.2
[M+CH3COO]- 397.23575 229.6
[M+Na-2H]- 359.19657 181.8
[M]+ 338.22135 172.5
[M]- 338.22245 172.5
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.