CID 456173

133991-33-0

Structural Information

Molecular Formula
C19H24N4O3
SMILES
C1=CC(=CC=C1C(=N)N)OCCC(CCOC2=CC=C(C=C2)C(=N)N)O
InChI
InChI=1S/C19H24N4O3/c20-18(21)13-1-5-16(6-2-13)25-11-9-15(24)10-12-26-17-7-3-14(4-8-17)19(22)23/h1-8,15,24H,9-12H2,(H3,20,21)(H3,22,23)
InChIKey
LZRGIVAJLHKJOI-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylphenoxy)-3-hydroxypentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

356.18484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 184.4
[M+Na]+ 379.17406 186.0
[M-H]- 355.17756 188.0
[M+NH4]+ 374.21866 193.9
[M+K]+ 395.14800 182.4
[M+H-H2O]+ 339.18210 174.9
[M+HCOO]- 401.18304 206.3
[M+CH3COO]- 415.19869 224.3
[M+Na-2H]- 377.15951 184.1
[M]+ 356.18429 180.3
[M]- 356.18539 180.3
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