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

111
Patents

344.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 177.9
[M+Na]+ 367.13769 181.0
[M-H]- 343.14119 183.2
[M+NH4]+ 362.18229 188.7
[M+K]+ 383.11163 178.6
[M+H-H2O]+ 327.14573 168.1
[M+HCOO]- 389.14667 203.1
[M+CH3COO]- 403.16232 220.5
[M+Na-2H]- 365.12314 180.4
[M]+ 344.14792 176.7
[M]- 344.14902 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