CID 11625429

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

Structural Information

Molecular Formula
C20H23N5O2S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)OC)C)C
InChI
InChI=1S/C20H23N5O2S/c1-12-8-14(3)19(15(4)9-12)25-20(22-23-24-25)28-11-18(26)21-17-7-6-16(27-5)10-13(17)2/h6-10H,11H2,1-5H3,(H,21,26)
InChIKey
CDOXMOYAYAQPPK-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16454 196.5
[M+Na]+ 420.14648 206.5
[M-H]- 396.14998 202.6
[M+NH4]+ 415.19108 205.1
[M+K]+ 436.12042 199.9
[M+H-H2O]+ 380.15452 186.3
[M+HCOO]- 442.15546 211.3
[M+CH3COO]- 456.17111 225.4
[M+Na-2H]- 418.13193 193.7
[M]+ 397.15671 203.2
[M]- 397.15781 203.2
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.