CID 11502121

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

Structural Information

Molecular Formula
C20H21N5O2S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C(=O)C)C
InChI
InChI=1S/C20H21N5O2S/c1-12-9-13(2)19(14(3)10-12)25-20(22-23-24-25)28-11-18(27)21-17-8-6-5-7-16(17)15(4)26/h5-10H,11H2,1-4H3,(H,21,27)
InChIKey
QHXCBQFTFYKZSU-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1416 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14888 195.0
[M+Na]+ 418.13082 204.1
[M-H]- 394.13432 201.0
[M+NH4]+ 413.17542 203.3
[M+K]+ 434.10476 197.6
[M+H-H2O]+ 378.13886 184.9
[M+HCOO]- 440.13980 209.1
[M+CH3COO]- 454.15545 224.4
[M+Na-2H]- 416.11627 192.1
[M]+ 395.14105 200.1
[M]- 395.14215 200.1
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.