CID 6505340

Chembl513625

Structural Information

Molecular Formula
C19H24N4O3
SMILES
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)/C(=N\O)/N
InChI
InChI=1S/C19H24N4O3/c20-18(21)14-4-8-16(9-5-14)25-12-2-1-3-13-26-17-10-6-15(7-11-17)19(22)23-24/h4-11,24H,1-3,12-13H2,(H3,20,21)(H2,22,23)
InChIKey
UREYBSXWRHBDHQ-UHFFFAOYSA-N
Compound name
4-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

356.18484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 184.0
[M+Na]+ 379.17406 186.4
[M-H]- 355.17756 189.0
[M+NH4]+ 374.21866 194.4
[M+K]+ 395.14800 182.9
[M+H-H2O]+ 339.18210 174.1
[M+HCOO]- 401.18304 208.4
[M+CH3COO]- 415.19869 224.8
[M+Na-2H]- 377.15951 185.4
[M]+ 356.18429 182.3
[M]- 356.18539 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

patents stripe