CID 11711503

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

Structural Information

Molecular Formula
C20H18N6O3S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC4=C3C(=O)NC4=O)C
InChI
InChI=1S/C20H18N6O3S/c1-10-7-11(2)17(12(3)8-10)26-20(23-24-25-26)30-9-15(27)21-14-6-4-5-13-16(14)19(29)22-18(13)28/h4-8H,9H2,1-3H3,(H,21,27)(H,22,28,29)
InChIKey
SOGXTZONYOSDCP-UHFFFAOYSA-N
Compound name
N-(1,3-dioxoisoindol-4-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.11612 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12340 201.4
[M+Na]+ 445.10534 212.2
[M-H]- 421.10884 206.8
[M+NH4]+ 440.14994 209.6
[M+K]+ 461.07928 204.9
[M+H-H2O]+ 405.11338 192.9
[M+HCOO]- 467.11432 213.4
[M+CH3COO]- 481.12997 210.0
[M+Na-2H]- 443.09079 197.0
[M]+ 422.11557 206.0
[M]- 422.11667 206.0
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.