CID 511586

1-[1-(5-chloro-2-thienyl)-2-(4-nitrophenyl)ethyl]imidazole

Structural Information

Molecular Formula
C15H12ClN3O2S
SMILES
C1=CC(=CC=C1CC(C2=CC=C(S2)Cl)N3C=CN=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H12ClN3O2S/c16-15-6-5-14(22-15)13(18-8-7-17-10-18)9-11-1-3-12(4-2-11)19(20)21/h1-8,10,13H,9H2
InChIKey
RCNAYNBKYNADLP-UHFFFAOYSA-N
Compound name
1-[1-(5-chlorothiophen-2-yl)-2-(4-nitrophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 175.8
[M+Na]+ 356.02309 184.3
[M-H]- 332.02659 184.3
[M+NH4]+ 351.06769 190.6
[M+K]+ 371.99703 174.8
[M+H-H2O]+ 316.03113 172.2
[M+HCOO]- 378.03207 191.8
[M+CH3COO]- 392.04772 198.0
[M+Na-2H]- 354.00854 176.9
[M]+ 333.03332 179.3
[M]- 333.03442 179.3
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.