CID 3001407

P-tolu-p-anisidide, thio-

Structural Information

Molecular Formula
C15H15NOS
SMILES
CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H15NOS/c1-11-3-5-12(6-4-11)15(18)16-13-7-9-14(17-2)10-8-13/h3-10H,1-2H3,(H,16,18)
InChIKey
ZVNWQEYNNTVNBG-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-4-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.08743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09471 157.2
[M+Na]+ 280.07665 164.7
[M-H]- 256.08015 164.2
[M+NH4]+ 275.12125 174.5
[M+K]+ 296.05059 159.9
[M+H-H2O]+ 240.08469 149.8
[M+HCOO]- 302.08563 176.5
[M+CH3COO]- 316.10128 197.2
[M+Na-2H]- 278.06210 159.7
[M]+ 257.08688 158.9
[M]- 257.08798 158.9
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.