CID 16077230

1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-n-(4-pyridylmethoxy)methanimine

Structural Information

Molecular Formula
C19H18FN3O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=NC=C3
InChI
InChI=1S/C19H18FN3O/c1-14-11-17(12-22-24-13-16-7-9-21-10-8-16)15(2)23(14)19-5-3-18(20)4-6-19/h3-12H,13H2,1-2H3/b22-12+
InChIKey
CZVFYDVJVKJOSJ-WSDLNYQXSA-N
Compound name
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(pyridin-4-ylmethoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15068 176.0
[M+Na]+ 346.13262 185.3
[M-H]- 322.13612 183.8
[M+NH4]+ 341.17722 189.8
[M+K]+ 362.10656 179.5
[M+H-H2O]+ 306.14066 164.6
[M+HCOO]- 368.14160 200.0
[M+CH3COO]- 382.15725 213.2
[M+Na-2H]- 344.11807 178.4
[M]+ 323.14285 178.3
[M]- 323.14395 178.3
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.