CID 456174

133991-32-9

Structural Information

Molecular Formula
C19H24N4O3
SMILES
C1=CC(=CC=C1C(=N)N)OCCCC(COC2=CC=C(C=C2)C(=N)N)O
InChI
InChI=1S/C19H24N4O3/c20-18(21)13-3-7-16(8-4-13)25-11-1-2-15(24)12-26-17-9-5-14(6-10-17)19(22)23/h3-10,15,24H,1-2,11-12H2,(H3,20,21)(H3,22,23)
InChIKey
IIPIRIZROMSNPV-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylphenoxy)-4-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.