CID 9579200

5-[(z)-(4-chlorodithiazol-5-ylidene)amino]-1-phenethyl-imidazole-4-carbonitrile

Structural Information

Molecular Formula
C14H10ClN5S2
SMILES
C1=CC=C(C=C1)CCN2C=NC(=C2/N=C\3/C(=NSS3)Cl)C#N
InChI
InChI=1S/C14H10ClN5S2/c15-12-14(21-22-19-12)18-13-11(8-16)17-9-20(13)7-6-10-4-2-1-3-5-10/h1-5,9H,6-7H2/b18-14-
InChIKey
FBZNNLMMTIKRDY-JXAWBTAJSA-N
Compound name
5-[(Z)-(4-chlorodithiazol-5-ylidene)amino]-1-(2-phenylethyl)imidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.00662 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01390 184.9
[M+Na]+ 369.99584 200.1
[M-H]- 345.99934 191.9
[M+NH4]+ 365.04044 198.7
[M+K]+ 385.96978 192.4
[M+H-H2O]+ 330.00388 170.0
[M+HCOO]- 392.00482 193.9
[M+CH3COO]- 406.02047 195.0
[M+Na-2H]- 367.98129 182.8
[M]+ 347.00607 186.5
[M]- 347.00717 186.5
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.