CID 16077788

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chloro-4-thiazol-4-yl-phenyl)acetamide

Structural Information

Molecular Formula
C19H14Cl2N6OS2
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CSC=N4)Cl)Cl
InChI
InChI=1S/C19H14Cl2N6OS2/c1-11-2-5-17(14(21)6-11)27-19(24-25-26-27)30-9-18(28)23-15-4-3-12(7-13(15)20)16-8-29-10-22-16/h2-8,10H,9H2,1H3,(H,23,28)
InChIKey
GNFIOVUAFVHBPO-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.00476 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.01204 201.6
[M+Na]+ 498.99398 215.0
[M-H]- 474.99748 210.1
[M+NH4]+ 494.03858 209.5
[M+K]+ 514.96792 206.0
[M+H-H2O]+ 459.00202 193.3
[M+HCOO]- 521.00296 204.7
[M+CH3COO]- 535.01861 210.7
[M+Na-2H]- 496.97943 197.9
[M]+ 476.00421 210.4
[M]- 476.00531 210.4
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.