CID 124139885

2055756-21-1

Structural Information

Molecular Formula
C17H18ClFN2O
SMILES
CCN(C)C=NC1=C(C=C(C(=C1)C)OC2=CC=CC=C2F)Cl
InChI
InChI=1S/C17H18ClFN2O/c1-4-21(3)11-20-15-9-12(2)17(10-13(15)18)22-16-8-6-5-7-14(16)19/h5-11H,4H2,1-3H3
InChIKey
SQCJYCIUZGDBPJ-UHFFFAOYSA-N
Compound name
N'-[2-chloro-4-(2-fluorophenoxy)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1054
Patents

320.10916 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11644 174.1
[M+Na]+ 343.09838 183.2
[M-H]- 319.10188 182.4
[M+NH4]+ 338.14298 190.7
[M+K]+ 359.07232 178.5
[M+H-H2O]+ 303.10642 165.3
[M+HCOO]- 365.10736 196.3
[M+CH3COO]- 379.12301 218.2
[M+Na-2H]- 341.08383 176.8
[M]+ 320.10861 179.4
[M]- 320.10971 179.4
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