CID 9579199

1-tert-butyl-5-[(z)-(4-chlorodithiazol-5-ylidene)amino]pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H10ClN5S2
SMILES
CC(C)(C)N1C(=C(C=N1)C#N)/N=C\2/C(=NSS2)Cl
InChI
InChI=1S/C10H10ClN5S2/c1-10(2,3)16-8(6(4-12)5-13-16)14-9-7(11)15-18-17-9/h5H,1-3H3/b14-9-
InChIKey
RVRATHYWMIQLMP-ZROIWOOFSA-N
Compound name
1-tert-butyl-5-[(Z)-(4-chlorodithiazol-5-ylidene)amino]pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.00662 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01390 176.6
[M+Na]+ 321.99584 191.4
[M-H]- 297.99934 181.9
[M+NH4]+ 317.04044 192.5
[M+K]+ 337.96978 186.7
[M+H-H2O]+ 282.00388 162.9
[M+HCOO]- 344.00482 183.9
[M+CH3COO]- 358.02047 187.3
[M+Na-2H]- 319.98129 174.7
[M]+ 299.00607 178.3
[M]- 299.00717 178.3
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.