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 157.5
[M+Na]+ 306.09232 164.9
[M-H]- 282.09582 168.7
[M+NH4]+ 301.13692 169.2
[M+K]+ 322.06626 161.1
[M+H-H2O]+ 266.10036 149.3
[M+HCOO]- 328.10130 177.7
[M+CH3COO]- 342.11695 206.3
[M+Na-2H]- 304.07777 160.2
[M]+ 283.10255 161.7
[M]- 283.10365 161.7
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.