CID 16077227

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

Structural Information

Molecular Formula
C21H21FN2O2
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21FN2O2/c1-15-12-18(16(2)24(15)20-8-6-19(22)7-9-20)13-23-26-14-17-4-10-21(25-3)11-5-17/h4-13H,14H2,1-3H3/b23-13+
InChIKey
HOTZMSGVIKNZET-YDZHTSKRSA-N
Compound name
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(4-methoxyphenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1587 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16598 184.0
[M+Na]+ 375.14792 193.2
[M-H]- 351.15142 193.3
[M+NH4]+ 370.19252 198.2
[M+K]+ 391.12186 187.9
[M+H-H2O]+ 335.15596 173.2
[M+HCOO]- 397.15690 208.9
[M+CH3COO]- 411.17255 219.7
[M+Na-2H]- 373.13337 184.7
[M]+ 352.15815 188.3
[M]- 352.15925 188.3
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.