CID 147933

125880-86-6

Structural Information

Molecular Formula
C18H26N8
SMILES
C1=CC(=C(C=C1C(=N)N)N)NCCCCNC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C18H26N8/c19-13-9-11(17(21)22)3-5-15(13)25-7-1-2-8-26-16-6-4-12(18(23)24)10-14(16)20/h3-6,9-10,25-26H,1-2,7-8,19-20H2,(H3,21,22)(H3,23,24)
InChIKey
UXVWYINPGXCLNB-UHFFFAOYSA-N
Compound name
3-amino-4-[4-(2-amino-4-carbamimidoylanilino)butylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

354.22806 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23534 181.7
[M+Na]+ 377.21728 183.9
[M-H]- 353.22078 186.7
[M+NH4]+ 372.26188 191.1
[M+K]+ 393.19122 179.7
[M+H-H2O]+ 337.22532 171.7
[M+HCOO]- 399.22626 208.2
[M+CH3COO]- 413.24191 239.7
[M+Na-2H]- 375.20273 182.0
[M]+ 354.22751 172.2
[M]- 354.22861 172.2
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.