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

2
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

patents stripe