CID 5480201

N'-hydroxy-4-[3-[4-(n-hydroxycarbamimidoyl)phenoxy]propoxy]benzamidine

Structural Information

Molecular Formula
C17H20N4O4
SMILES
C1=CC(=CC=C1/C(=N/O)/N)OCCCOC2=CC=C(C=C2)/C(=N/O)/N
InChI
InChI=1S/C17H20N4O4/c18-16(20-22)12-2-6-14(7-3-12)24-10-1-11-25-15-8-4-13(5-9-15)17(19)21-23/h2-9,22-23H,1,10-11H2,(H2,18,20)(H2,19,21)
InChIKey
JZZQSMIQUPQSCL-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

156
Patents

344.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 177.9
[M+Na]+ 367.137688 181.0
[M-H]- 343.141194 183.2
[M+NH4]+ 362.182293 188.7
[M+K]+ 383.111628 178.6
[M+H-H2O]+ 327.145730 168.1
[M+HCOO]- 389.146671 203.1
[M+CH3COO]- 403.162321 220.5
[M+Na-2H]- 365.123136 180.4
[M]+ 344.14792142 176.7
[M]- 344.14901858 176.7
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

patents stripe