CID 3066650

Brn 6419656

Structural Information

Molecular Formula
C17H14N4S
SMILES
C1CN=C(N1)C2=NN=C(S2)C3=CC=CC=C3C4=CC=CC=C4
InChI
InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19)
InChIKey
LXNZPOAVZPZLQB-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.0939 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10118 167.8
[M+Na]+ 329.08312 177.6
[M-H]- 305.08662 175.4
[M+NH4]+ 324.12772 180.6
[M+K]+ 345.05706 170.5
[M+H-H2O]+ 289.09116 158.3
[M+HCOO]- 351.09210 183.1
[M+CH3COO]- 365.10775 178.7
[M+Na-2H]- 327.06857 167.2
[M]+ 306.09335 166.9
[M]- 306.09445 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.