CID 147934

4,4'-(1,5-pentanediyldiimino)bis(3-aminobenzenecarboximidamide)

Structural Information

Molecular Formula
C19H28N8
SMILES
C1=CC(=C(C=C1C(=N)N)N)NCCCCCNC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C19H28N8/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11,26-27H,1-3,8-9,20-21H2,(H3,22,23)(H3,24,25)
InChIKey
WIVJSAXCEQDLJF-UHFFFAOYSA-N
Compound name
3-amino-4-[5-(2-amino-4-carbamimidoylanilino)pentylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.24368 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25096 185.6
[M+Na]+ 391.23290 187.3
[M-H]- 367.23640 190.4
[M+NH4]+ 386.27750 194.4
[M+K]+ 407.20684 183.0
[M+H-H2O]+ 351.24094 175.4
[M+HCOO]- 413.24188 211.8
[M+CH3COO]- 427.25753 242.6
[M+Na-2H]- 389.21835 185.5
[M]+ 368.24313 176.4
[M]- 368.24423 176.4
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.