CID 147935

125880-88-8

Structural Information

Molecular Formula
C20H30N8
SMILES
C1=CC(=C(C=C1C(=N)N)N)NCCCCCCNC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C20H30N8/c21-15-11-13(19(23)24)5-7-17(15)27-9-3-1-2-4-10-28-18-8-6-14(20(25)26)12-16(18)22/h5-8,11-12,27-28H,1-4,9-10,21-22H2,(H3,23,24)(H3,25,26)
InChIKey
WHBMNMVYLUEXCI-UHFFFAOYSA-N
Compound name
3-amino-4-[6-(2-amino-4-carbamimidoylanilino)hexylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

382.25934 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26662 189.5
[M+Na]+ 405.24856 190.8
[M-H]- 381.25206 194.1
[M+NH4]+ 400.29316 197.8
[M+K]+ 421.22250 186.3
[M+H-H2O]+ 365.25660 179.1
[M+HCOO]- 427.25754 215.3
[M+CH3COO]- 441.27319 245.5
[M+Na-2H]- 403.23401 189.0
[M]+ 382.25879 180.6
[M]- 382.25989 180.6
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.