CID 11647416

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

Structural Information

Molecular Formula
C19H19F2N5O2S
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3OC(F)F)C
InChI
InChI=1S/C19H19F2N5O2S/c1-11-8-12(2)17(13(3)9-11)26-19(23-24-25-26)29-10-16(27)22-14-6-4-5-7-15(14)28-18(20)21/h4-9,18H,10H2,1-3H3,(H,22,27)
InChIKey
YNUVDJPAPOCYAX-UHFFFAOYSA-N
Compound name
N-[2-(difluoromethoxy)phenyl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.12274 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13002 195.5
[M+Na]+ 442.11196 204.7
[M-H]- 418.11546 198.7
[M+NH4]+ 437.15656 202.6
[M+K]+ 458.08590 198.0
[M+H-H2O]+ 402.12000 183.4
[M+HCOO]- 464.12094 207.6
[M+CH3COO]- 478.13659 227.3
[M+Na-2H]- 440.09741 192.1
[M]+ 419.12219 199.0
[M]- 419.12329 199.0
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.