CID 11523872

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

Structural Information

Molecular Formula
C19H20FN5OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)F)C)C
InChI
InChI=1S/C19H20FN5OS/c1-11-7-13(3)18(14(4)8-11)25-19(22-23-24-25)27-10-17(26)21-16-6-5-15(20)9-12(16)2/h5-9H,10H2,1-4H3,(H,21,26)
InChIKey
YUBBNVWCBHFESH-UHFFFAOYSA-N
Compound name
N-(4-fluoro-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

385.13727 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14455 191.5
[M+Na]+ 408.12649 202.4
[M-H]- 384.12999 196.4
[M+NH4]+ 403.17109 200.7
[M+K]+ 424.10043 194.9
[M+H-H2O]+ 368.13453 180.7
[M+HCOO]- 430.13547 205.5
[M+CH3COO]- 444.15112 201.1
[M+Na-2H]- 406.11194 188.5
[M]+ 385.13672 195.7
[M]- 385.13782 195.7
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.