CID 500469

3-(4-carbamimidoylphenyl)-2h-chromene-6-carboxamidine

Structural Information

Molecular Formula
C17H16N4O
SMILES
C1C(=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C17H16N4O/c18-16(19)11-3-1-10(2-4-11)14-8-13-7-12(17(20)21)5-6-15(13)22-9-14/h1-8H,9H2,(H3,18,19)(H3,20,21)
InChIKey
MSTZDFJTXXVBKT-UHFFFAOYSA-N
Compound name
3-(4-carbamimidoylphenyl)-2H-chromene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 168.4
[M+Na]+ 315.12164 173.6
[M-H]- 291.12514 175.6
[M+NH4]+ 310.16624 181.4
[M+K]+ 331.09558 169.6
[M+H-H2O]+ 275.12968 159.8
[M+HCOO]- 337.13062 190.4
[M+CH3COO]- 351.14627 178.5
[M+Na-2H]- 313.10709 172.9
[M]+ 292.13187 162.0
[M]- 292.13297 162.0
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.