CID 5761293

(e)-n-(benzyloxy)-1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]methanimine

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C20H19ClN2O/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
WURTYIBIKWBXER-LPYMAVHISA-N
Compound name
(E)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 181.8
[M+Na]+ 361.10782 191.4
[M-H]- 337.11132 191.8
[M+NH4]+ 356.15242 197.3
[M+K]+ 377.08176 184.4
[M+H-H2O]+ 321.11586 172.4
[M+HCOO]- 383.11680 203.2
[M+CH3COO]- 397.13245 193.8
[M+Na-2H]- 359.09327 183.6
[M]+ 338.11805 187.2
[M]- 338.11915 187.2
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.