CID 16077228

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

Structural Information

Molecular Formula
C20H18FN3O3
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18FN3O3/c1-14-11-17(15(2)23(14)19-9-5-18(21)6-10-19)12-22-27-13-16-3-7-20(8-4-16)24(25)26/h3-12H,13H2,1-2H3/b22-12+
InChIKey
RDMYSAKKIGGLQN-WSDLNYQXSA-N
Compound name
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(4-nitrophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.1332 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14048 186.7
[M+Na]+ 390.12242 194.0
[M-H]- 366.12592 195.9
[M+NH4]+ 385.16702 198.9
[M+K]+ 406.09636 184.8
[M+H-H2O]+ 350.13046 180.2
[M+HCOO]- 412.13140 212.4
[M+CH3COO]- 426.14705 216.2
[M+Na-2H]- 388.10787 189.7
[M]+ 367.13265 187.6
[M]- 367.13375 187.6
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.