CID 11639246

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

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3N)C
InChI
InChI=1S/C18H20N6OS/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10,19H2,1-3H3,(H,20,25)
InChIKey
YRSMHDQFWSVHHI-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14922 187.9
[M+Na]+ 391.13116 197.4
[M-H]- 367.13466 193.5
[M+NH4]+ 386.17576 197.0
[M+K]+ 407.10510 190.2
[M+H-H2O]+ 351.13920 177.8
[M+HCOO]- 413.14014 203.7
[M+CH3COO]- 427.15579 197.3
[M+Na-2H]- 389.11661 186.7
[M]+ 368.14139 190.7
[M]- 368.14249 190.7
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.