CID 6410539

66978-43-6

Structural Information

Molecular Formula
C18H15N3S
SMILES
C1=CC=C(C=C1)C2=NN=C(C=C2)C(C3=CC=CC=C3)C(=S)N
InChI
InChI=1S/C18H15N3S/c19-18(22)17(14-9-5-2-6-10-14)16-12-11-15(20-21-16)13-7-3-1-4-8-13/h1-12,17H,(H2,19,22)
InChIKey
WIULAHBTSXYJDW-UHFFFAOYSA-N
Compound name
2-phenyl-2-(6-phenylpyridazin-3-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.09866 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10594 169.4
[M+Na]+ 328.08788 176.1
[M-H]- 304.09138 175.7
[M+NH4]+ 323.13248 180.8
[M+K]+ 344.06182 168.9
[M+H-H2O]+ 288.09592 159.6
[M+HCOO]- 350.09686 184.8
[M+CH3COO]- 364.11251 179.3
[M+Na-2H]- 326.07333 172.2
[M]+ 305.09811 167.3
[M]- 305.09921 167.3
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

patents stripe