CID 805406

P-benzanisidide, thio-

Structural Information

Molecular Formula
C14H13NOS
SMILES
COC1=CC=C(C=C1)NC(=S)C2=CC=CC=C2
InChI
InChI=1S/C14H13NOS/c1-16-13-9-7-12(8-10-13)15-14(17)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,17)
InChIKey
HGBOOZXXUFQBLX-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

243.0718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07908 152.9
[M+Na]+ 266.06102 160.0
[M-H]- 242.06452 159.8
[M+NH4]+ 261.10562 170.5
[M+K]+ 282.03496 155.4
[M+H-H2O]+ 226.06906 145.6
[M+HCOO]- 288.07000 172.6
[M+CH3COO]- 302.08565 193.1
[M+Na-2H]- 264.04647 156.6
[M]+ 243.07125 153.9
[M]- 243.07235 153.9
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

patents stripe