CID 147924

125880-80-0

Structural Information

Molecular Formula
C20H28N6O2
SMILES
C1=CC(=C(C=C1C(=N)N)N)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C20H28N6O2/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/h5-8,11-12H,1-4,9-10,21-22H2,(H3,23,24)(H3,25,26)
InChIKey
WADDERGXOMNSLM-UHFFFAOYSA-N
Compound name
3-amino-4-[6-(2-amino-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.2274 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 191.9
[M+Na]+ 407.21662 194.1
[M-H]- 383.22012 196.3
[M+NH4]+ 402.26122 200.5
[M+K]+ 423.19056 190.1
[M+H-H2O]+ 367.22466 181.7
[M+HCOO]- 429.22560 216.3
[M+CH3COO]- 443.24125 239.1
[M+Na-2H]- 405.20207 190.2
[M]+ 384.22685 186.7
[M]- 384.22795 186.7
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.