CID 9570984

6-amidino-2-naphthyl-5-guanidinomethyl-furan-2-carboxylate dimethanesulfonate

Structural Information

Molecular Formula
C18H17N5O3
SMILES
C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CN=CNN)C=C1/C=N/N
InChI
InChI=1S/C18H17N5O3/c19-22-9-12-1-2-14-8-15(4-3-13(14)7-12)26-18(24)17-6-5-16(25-17)10-21-11-23-20/h1-9,11H,10,19-20H2,(H,21,23)/b22-9+
InChIKey
RTZDLAFEDRGTNI-LSFURLLWSA-N
Compound name
[6-[(E)-hydrazinylidenemethyl]naphthalen-2-yl] 5-[(hydrazinylmethylideneamino)methyl]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.13315 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14043 183.8
[M+Na]+ 374.12237 193.5
[M+NH4]+ 369.16697 189.7
[M+K]+ 390.09631 189.2
[M-H]- 350.12587 191.0
[M+Na-2H]- 372.10782 190.0
[M]+ 351.13260 186.7
[M]- 351.13370 186.7
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

No patent data available for this compound.