CID 6336185

Zinoconazole hydrochloride

Structural Information

Molecular Formula
C15H11Cl3N4S
SMILES
C1=CC(=C(C(=C1)Cl)N/N=C(\CN2C=CN=C2)/C3=CC=C(S3)Cl)Cl
InChI
InChI=1S/C15H11Cl3N4S/c16-10-2-1-3-11(17)15(10)21-20-12(8-22-7-6-19-9-22)13-4-5-14(18)23-13/h1-7,9,21H,8H2/b20-12+
InChIKey
KCHHCAJDHQEGNL-UDWIEESQSA-N
Compound name
2,6-dichloro-N-[(E)-[1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

505
Patents

383.977 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.98428 187.7
[M+Na]+ 406.96622 198.7
[M-H]- 382.96972 195.7
[M+NH4]+ 402.01082 202.5
[M+K]+ 422.94016 191.2
[M+H-H2O]+ 366.97426 179.6
[M+HCOO]- 428.97520 195.5
[M+CH3COO]- 442.99085 198.1
[M+Na-2H]- 404.95167 185.6
[M]+ 383.97645 194.4
[M]- 383.97755 194.4
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

patents stripe