CID 147655

3,3'-(1,3-propanediylbis(oxy))bis-benzenecarboximidamide

Structural Information

Molecular Formula
C17H20N4O2
SMILES
C1=CC(=CC(=C1)OCCCOC2=CC=CC(=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C17H20N4O2/c18-16(19)12-4-1-6-14(10-12)22-8-3-9-23-15-7-2-5-13(11-15)17(20)21/h1-2,4-7,10-11H,3,8-9H2,(H3,18,19)(H3,20,21)
InChIKey
MEZWPABKRYXWOE-UHFFFAOYSA-N
Compound name
3-[3-(3-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

312.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 172.7
[M+Na]+ 335.14785 176.2
[M-H]- 311.15135 178.1
[M+NH4]+ 330.19245 184.9
[M+K]+ 351.12179 172.3
[M+H-H2O]+ 295.15589 163.5
[M+HCOO]- 357.15683 197.6
[M+CH3COO]- 371.17248 217.2
[M+Na-2H]- 333.13330 175.0
[M]+ 312.15808 169.0
[M]- 312.15918 169.0
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