CID 11567998

N-(2,3-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C18H17Cl2N5OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(C(=CC=C3)Cl)Cl)C
InChI
InChI=1S/C18H17Cl2N5OS/c1-10-7-11(2)17(12(3)8-10)25-18(22-23-24-25)27-9-15(26)21-14-6-4-5-13(19)16(14)20/h4-8H,9H2,1-3H3,(H,21,26)
InChIKey
MXADUVJLMHXVFW-UHFFFAOYSA-N
Compound name
N-(2,3-dichlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.0531 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.06038 195.3
[M+Na]+ 444.04232 206.9
[M-H]- 420.04582 200.6
[M+NH4]+ 439.08692 204.3
[M+K]+ 460.01626 198.5
[M+H-H2O]+ 404.05036 185.8
[M+HCOO]- 466.05130 200.7
[M+CH3COO]- 480.06695 204.4
[M+Na-2H]- 442.02777 192.1
[M]+ 421.05255 202.7
[M]- 421.05365 202.7
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.