CID 147932

4,4'-(1,3-propanediyldiimino)bis(3-aminobenzenecarboximidamide)

Structural Information

Molecular Formula
C17H24N8
SMILES
C1=CC(=C(C=C1C(=N)N)N)NCCCNC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C17H24N8/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9,24-25H,1,6-7,18-19H2,(H3,20,21)(H3,22,23)
InChIKey
HAFWPXVJZLAGFY-UHFFFAOYSA-N
Compound name
3-amino-4-[3-(2-amino-4-carbamimidoylanilino)propylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

340.2124 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21968 177.8
[M+Na]+ 363.20162 180.4
[M-H]- 339.20512 182.9
[M+NH4]+ 358.24622 187.7
[M+K]+ 379.17556 176.3
[M+H-H2O]+ 323.20966 167.9
[M+HCOO]- 385.21060 204.6
[M+CH3COO]- 399.22625 236.8
[M+Na-2H]- 361.18707 178.6
[M]+ 340.21185 168.0
[M]- 340.21295 168.0
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.