CID 3023398

6-amidino-2-naphthyl 5-methoxy-furan-2-carboxylate

Structural Information

Molecular Formula
C17H14N2O4
SMILES
COC1=CC=C(O1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C17H14N2O4/c1-21-15-7-6-14(23-15)17(20)22-13-5-4-10-8-12(16(18)19)3-2-11(10)9-13/h2-9H,1H3,(H3,18,19)
InChIKey
BRWSEMQWSIPXQZ-UHFFFAOYSA-N
Compound name
(6-carbamimidoylnaphthalen-2-yl) 5-methoxyfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.09537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 169.8
[M+Na]+ 333.08459 178.0
[M-H]- 309.08809 178.7
[M+NH4]+ 328.12919 185.0
[M+K]+ 349.05853 175.8
[M+H-H2O]+ 293.09263 162.2
[M+HCOO]- 355.09357 194.8
[M+CH3COO]- 369.10922 209.4
[M+Na-2H]- 331.07004 174.0
[M]+ 310.09482 173.4
[M]- 310.09592 173.4
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

patents stripe