CID 511596

1-[2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethyl]imidazole

Structural Information

Molecular Formula
C16H16ClN3
SMILES
CN1C=CC(=C1)C(CC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C16H16ClN3/c1-19-8-6-14(11-19)16(20-9-7-18-12-20)10-13-2-4-15(17)5-3-13/h2-9,11-12,16H,10H2,1H3
InChIKey
LIHTWBXFDUXRLI-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10327 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11055 165.0
[M+Na]+ 308.09249 175.0
[M-H]- 284.09599 171.4
[M+NH4]+ 303.13709 180.8
[M+K]+ 324.06643 168.8
[M+H-H2O]+ 268.10053 155.0
[M+HCOO]- 330.10147 183.2
[M+CH3COO]- 344.11712 177.1
[M+Na-2H]- 306.07794 166.3
[M]+ 285.10272 168.9
[M]- 285.10382 168.9
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.