CID 16077789

Acetamide, 2-[[1-(2-chloro-4-methylphenyl)-1h-tetrazol-5-yl]thio]-n-[2-chloro-4-(2-aminothiazol-4-yl)phenyl]-

Structural Information

Molecular Formula
C19H15Cl2N7OS2
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CSC(=N4)N)Cl)Cl
InChI
InChI=1S/C19H15Cl2N7OS2/c1-10-2-5-16(13(21)6-10)28-19(25-26-27-28)31-9-17(29)23-14-4-3-11(7-12(14)20)15-8-30-18(22)24-15/h2-8H,9H2,1H3,(H2,22,24)(H,23,29)
InChIKey
ZXVDSMRXVLTRPS-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)-2-chlorophenyl]-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.01566 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.02294 204.9
[M+Na]+ 514.00488 217.9
[M-H]- 490.00838 213.2
[M+NH4]+ 509.04948 211.8
[M+K]+ 529.97882 208.5
[M+H-H2O]+ 474.01292 196.9
[M+HCOO]- 536.01386 208.3
[M+CH3COO]- 550.02951 213.5
[M+Na-2H]- 511.99033 201.1
[M]+ 491.01511 212.7
[M]- 491.01621 212.7
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.