CID 3005902

3-methoxy-4'-isopropylthiobenzanilide

Structural Information

Molecular Formula
C17H19NOS
SMILES
CC(C)C1=CC=C(C=C1)NC(=S)C2=CC(=CC=C2)OC
InChI
InChI=1S/C17H19NOS/c1-12(2)13-7-9-15(10-8-13)18-17(20)14-5-4-6-16(11-14)19-3/h4-12H,1-3H3,(H,18,20)
InChIKey
JTFJFKJOASVHPX-UHFFFAOYSA-N
Compound name
3-methoxy-N-(4-propan-2-ylphenyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.11874 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 166.2
[M+Na]+ 308.10796 172.5
[M-H]- 284.11146 172.9
[M+NH4]+ 303.15256 182.3
[M+K]+ 324.08190 167.8
[M+H-H2O]+ 268.11600 158.6
[M+HCOO]- 330.11694 183.8
[M+CH3COO]- 344.13259 204.1
[M+Na-2H]- 306.09341 166.6
[M]+ 285.11819 168.1
[M]- 285.11929 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.