CID 5275184

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

Structural Information

Molecular Formula
C17H15Cl2N5OS
SMILES
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C)Cl)Cl
InChI
InChI=1S/C17H15Cl2N5OS/c1-10-3-5-14(12(18)7-10)20-16(25)9-26-17-21-22-23-24(17)15-6-4-11(2)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKey
SEZTZDMBZCBCNU-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.03745 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04473 190.3
[M+Na]+ 430.02667 201.6
[M-H]- 406.03017 195.5
[M+NH4]+ 425.07127 199.7
[M+K]+ 446.00061 193.4
[M+H-H2O]+ 390.03471 180.8
[M+HCOO]- 452.03565 196.1
[M+CH3COO]- 466.05130 199.6
[M+Na-2H]- 428.01212 188.4
[M]+ 407.03690 197.1
[M]- 407.03800 197.1
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.