CID 3060099

Brn 5052672

Structural Information

Molecular Formula
C17H17NOS
SMILES
CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3CC3
InChI
InChI=1S/C17H17NOS/c1-18(17(19)13-7-8-13)14-9-11-16(12-10-14)20-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKey
YHIJAOKUOVZSMU-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1031 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11038 165.7
[M+Na]+ 306.09232 180.5
[M+NH4]+ 301.13692 175.9
[M+K]+ 322.06626 172.1
[M-H]- 282.09582 179.3
[M+Na-2H]- 304.07777 178.1
[M]+ 283.10255 173.4
[M]- 283.10365 173.4
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.