CID 371712

Nsc646160

Structural Information

Molecular Formula
C14H13NOS
SMILES
C1=CC=C(C=C1)CN(C(=S)C2=CC=CC=C2)O
InChI
InChI=1S/C14H13NOS/c16-15(11-12-7-3-1-4-8-12)14(17)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKey
ODICBYUPKZRFOG-UHFFFAOYSA-N
Compound name
N-benzyl-N-hydroxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 153.5
[M+Na]+ 266.06102 159.3
[M-H]- 242.06452 160.0
[M+NH4]+ 261.10562 170.6
[M+K]+ 282.03496 155.2
[M+H-H2O]+ 226.06906 146.1
[M+HCOO]- 288.07000 172.1
[M+CH3COO]- 302.08565 192.8
[M+Na-2H]- 264.04647 156.8
[M]+ 243.07125 153.5
[M]- 243.07235 153.5
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.