CID 9589042

Brn 4261089

Structural Information

Molecular Formula
C11H9ClN4OS
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CSC(=N2)N)Cl
InChI
InChI=1S/C11H9ClN4OS/c12-8-4-2-1-3-7(8)5-14-16-10(17)9-6-18-11(13)15-9/h1-6H,(H2,13,15)(H,16,17)/b14-5+
InChIKey
QKBVSWGCSAPITE-LHHJGKSTSA-N
Compound name
2-amino-N-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01855 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02583 160.6
[M+Na]+ 303.00777 169.5
[M-H]- 279.01127 167.7
[M+NH4]+ 298.05237 178.1
[M+K]+ 318.98171 163.9
[M+H-H2O]+ 263.01581 153.3
[M+HCOO]- 325.01675 179.1
[M+CH3COO]- 339.03240 201.9
[M+Na-2H]- 300.99322 162.7
[M]+ 280.01800 163.0
[M]- 280.01910 163.0
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

No patent data available for this compound.