CID 11589182

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

Structural Information

Molecular Formula
C18H17F2N5OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(C(=CC=C3)F)F)C
InChI
InChI=1S/C18H17F2N5OS/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
NZZACMBWVKOELA-UHFFFAOYSA-N
Compound name
N-(2,3-difluorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.11218 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11946 189.5
[M+Na]+ 412.10140 200.8
[M-H]- 388.10490 193.2
[M+NH4]+ 407.14600 198.4
[M+K]+ 428.07534 193.0
[M+H-H2O]+ 372.10944 177.8
[M+HCOO]- 434.11038 202.7
[M+CH3COO]- 448.12603 198.8
[M+Na-2H]- 410.08685 186.4
[M]+ 389.11163 192.4
[M]- 389.11273 192.4
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.