CID 11523847

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

Structural Information

Molecular Formula
C18H20N6O2S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(N=CC=C3)OC)C
InChI
InChI=1S/C18H20N6O2S/c1-11-8-12(2)16(13(3)9-11)24-18(21-22-23-24)27-10-15(25)20-14-6-5-7-19-17(14)26-4/h5-9H,10H2,1-4H3,(H,20,25)
InChIKey
MZLQOJOXAXKISM-UHFFFAOYSA-N
Compound name
N-(2-methoxypyridin-3-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

384.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14412 191.4
[M+Na]+ 407.12606 201.6
[M-H]- 383.12956 196.3
[M+NH4]+ 402.17066 198.9
[M+K]+ 423.10000 195.0
[M+H-H2O]+ 367.13410 180.8
[M+HCOO]- 429.13504 205.6
[M+CH3COO]- 443.15069 200.6
[M+Na-2H]- 405.11151 190.3
[M]+ 384.13629 197.4
[M]- 384.13739 197.4
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.