CID 147797

124076-62-6

Structural Information

Molecular Formula
C19H26N6O2
SMILES
C1=CC(=C(C=C1C(=N)N)N)OCCCCCOC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C19H26N6O2/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/h4-7,10-11H,1-3,8-9,20-21H2,(H3,22,23)(H3,24,25)
InChIKey
VFOFCLHDSYTAFT-UHFFFAOYSA-N
Compound name
3-amino-4-[5-(2-amino-4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.21173 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21901 187.8
[M+Na]+ 393.20095 190.5
[M-H]- 369.20445 192.5
[M+NH4]+ 388.24555 197.0
[M+K]+ 409.17489 186.6
[M+H-H2O]+ 353.20899 177.8
[M+HCOO]- 415.20993 212.5
[M+CH3COO]- 429.22558 236.2
[M+Na-2H]- 391.18640 186.6
[M]+ 370.21118 182.3
[M]- 370.21228 182.3
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.