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
5
Annotation Hits

43
References

17
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 188.1
[M+Na]+ 387.14275 193.0
[M-H]- 363.14625 200.6
[M+NH4]+ 382.18735 200.0
[M+K]+ 403.11669 191.3
[M+H-H2O]+ 347.15079 177.8
[M+HCOO]- 409.15173 216.2
[M+CH3COO]- 423.16738 228.7
[M+Na-2H]- 385.12820 189.8
[M]+ 364.15298 189.6
[M]- 364.15408 189.6
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