CID 500484

2-(4-carbamimidoylphenyl)chromane-6-carboxamidine

Structural Information

Molecular Formula
C17H18N4O
SMILES
C1CC2=C(C=CC(=C2)C(=N)N)OC1C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C17H18N4O/c18-16(19)11-3-1-10(2-4-11)14-7-5-12-9-13(17(20)21)6-8-15(12)22-14/h1-4,6,8-9,14H,5,7H2,(H3,18,19)(H3,20,21)
InChIKey
XQVKYYAXPBAZJU-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylphenyl)-3,4-dihydro-2H-chromene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 169.0
[M+Na]+ 317.13729 173.2
[M-H]- 293.14079 175.8
[M+NH4]+ 312.18189 181.8
[M+K]+ 333.11123 169.3
[M+H-H2O]+ 277.14533 160.4
[M+HCOO]- 339.14627 189.6
[M+CH3COO]- 353.16192 215.0
[M+Na-2H]- 315.12274 172.6
[M]+ 294.14752 161.2
[M]- 294.14862 161.2
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.