CID 6323688

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

Structural Information

Molecular Formula
C20H19FN2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C20H19FN2O/c1-15-12-18(13-22-24-14-17-6-4-3-5-7-17)16(2)23(15)20-10-8-19(21)9-11-20/h3-13H,14H2,1-2H3/b22-13+
InChIKey
WVUSIYMFDCHDGG-LPYMAVHISA-N
Compound name
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.14813 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15541 176.1
[M+Na]+ 345.13735 185.0
[M-H]- 321.14085 185.1
[M+NH4]+ 340.18195 191.4
[M+K]+ 361.11129 179.3
[M+H-H2O]+ 305.14539 165.5
[M+HCOO]- 367.14633 201.2
[M+CH3COO]- 381.16198 213.5
[M+Na-2H]- 343.12280 178.0
[M]+ 322.14758 178.3
[M]- 322.14868 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.