CID 16077225

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

Structural Information

Molecular Formula
C20H18ClFN2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=N/OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClFN2O/c1-14-11-17(12-23-25-13-16-3-5-18(21)6-4-16)15(2)24(14)20-9-7-19(22)8-10-20/h3-12H,13H2,1-2H3/b23-12+
InChIKey
FURRINGIBZSNSY-FSJBWODESA-N
Compound name
(E)-N-[(4-chlorophenyl)methoxy]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.10916 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11644 184.5
[M+Na]+ 379.09838 195.0
[M-H]- 355.10188 193.5
[M+NH4]+ 374.14298 199.5
[M+K]+ 395.07232 187.6
[M+H-H2O]+ 339.10642 174.3
[M+HCOO]- 401.10736 204.7
[M+CH3COO]- 415.12301 218.2
[M+Na-2H]- 377.08383 184.9
[M]+ 356.10861 189.3
[M]- 356.10971 189.3
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.