CID 456998

2-(imidazolyl-2-naphthylmethyl)thiophene

Structural Information

Molecular Formula
C18H14N2S
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C3=CC=CS3)N4C=CN=C4
InChI
InChI=1S/C18H14N2S/c1-2-5-15-12-16(8-7-14(15)4-1)18(17-6-3-11-21-17)20-10-9-19-13-20/h1-13,18H
InChIKey
WQLPGTIHKSUHJT-UHFFFAOYSA-N
Compound name
1-[naphthalen-2-yl(thiophen-2-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08777 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09505 165.9
[M+Na]+ 313.07699 176.5
[M-H]- 289.08049 175.4
[M+NH4]+ 308.12159 183.9
[M+K]+ 329.05093 170.6
[M+H-H2O]+ 273.08503 158.1
[M+HCOO]- 335.08597 185.1
[M+CH3COO]- 349.10162 178.7
[M+Na-2H]- 311.06244 167.5
[M]+ 290.08722 169.4
[M]- 290.08832 169.4
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.