CID 3052602

Brn 5822339

Structural Information

Molecular Formula
C18H15N3S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCCC#N)C3=CC=CC=C3
InChI
InChI=1S/C18H15N3S/c19-12-7-13-22-18-20-16(14-8-3-1-4-9-14)17(21-18)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2,(H,20,21)
InChIKey
KWPAFKWKDCDGCV-UHFFFAOYSA-N
Compound name
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09866 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10594 168.6
[M+Na]+ 328.08788 182.9
[M+NH4]+ 323.13248 173.9
[M+K]+ 344.06182 170.8
[M-H]- 304.09138 166.5
[M+Na-2H]- 326.07333 175.5
[M]+ 305.09811 169.8
[M]- 305.09921 169.8
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.