CID 16077231

1h-pyrrole-3-carboxaldehyde, 2-ethyl-1-(4-fluorophenyl)-5-methyl-, o-(phenylmethyl)oxime

Structural Information

Molecular Formula
C21H21FN2O
SMILES
CCC1=C(C=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C21H21FN2O/c1-3-21-18(14-23-25-15-17-7-5-4-6-8-17)13-16(2)24(21)20-11-9-19(22)10-12-20/h4-14H,3,15H2,1-2H3/b23-14+
InChIKey
SGPUDSDTTLQJJH-OEAKJJBVSA-N
Compound name
(E)-1-[2-ethyl-1-(4-fluorophenyl)-5-methylpyrrol-3-yl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.1638 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17108 180.8
[M+Na]+ 359.15302 189.1
[M-H]- 335.15652 189.5
[M+NH4]+ 354.19762 195.4
[M+K]+ 375.12696 183.2
[M+H-H2O]+ 319.16106 169.9
[M+HCOO]- 381.16200 205.4
[M+CH3COO]- 395.17765 216.4
[M+Na-2H]- 357.13847 182.1
[M]+ 336.16325 183.2
[M]- 336.16435 183.2
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.