CID 64949

Propamidine

Structural Information

Molecular Formula
C17H20N4O2
SMILES
C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
InChIKey
WTFXJFJYEJZMFO-UHFFFAOYSA-N
Compound name
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

205
References

7800
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