CID 147927

125901-99-7

Structural Information

Molecular Formula
C18H24N6O2
SMILES
C1=CC(=C(C=C1C(=N)N)N)OCCCCOC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C18H24N6O2/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/h3-6,9-10H,1-2,7-8,19-20H2,(H3,21,22)(H3,23,24)
InChIKey
ZXRDCFYYUPITIO-UHFFFAOYSA-N
Compound name
3-amino-4-[4-(2-amino-4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

356.19608 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20336 183.7
[M+Na]+ 379.18530 186.9
[M-H]- 355.18880 188.5
[M+NH4]+ 374.22990 193.4
[M+K]+ 395.15924 183.1
[M+H-H2O]+ 339.19334 173.9
[M+HCOO]- 401.19428 208.7
[M+CH3COO]- 415.20993 233.2
[M+Na-2H]- 377.17075 182.9
[M]+ 356.19553 177.9
[M]- 356.19663 177.9
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.