CID 5480200

Pafuramidine

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CO/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OC)/N
InChI
InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
InChIKey
UKOQVLAXCBRRGH-UHFFFAOYSA-N
Compound name
N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

20
Patents

364.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 190.1
[M+Na]+ 387.14275 200.3
[M+NH4]+ 382.18735 196.1
[M+K]+ 403.11669 196.3
[M-H]- 363.14625 198.5
[M+Na-2H]- 385.12820 197.6
[M]+ 364.15298 193.5
[M]- 364.15408 193.5
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