CID 16728631

Chembl240640

Structural Information

Molecular Formula
C15H14ClFN4O
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)F)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C15H14ClFN4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKey
WGXFVCQKPVRXKR-DNTJNYDQSA-N
Compound name
2-[(E)-[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.084 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09128 173.1
[M+Na]+ 343.07322 180.8
[M-H]- 319.07672 180.3
[M+NH4]+ 338.11782 188.0
[M+K]+ 359.04716 175.3
[M+H-H2O]+ 303.08126 163.9
[M+HCOO]- 365.08220 196.9
[M+CH3COO]- 379.09785 218.7
[M+Na-2H]- 341.05867 176.3
[M]+ 320.08345 173.2
[M]- 320.08455 173.2
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

No patent data available for this compound.