CID 2306768

2-(4-methoxybenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
COC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O2S/c1-20-13-9-7-11(8-10-13)14(19)17-18-15(21)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKey
ZXTQBJSOXBDTSR-UHFFFAOYSA-N
Compound name
1-[(4-methoxybenzoyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

301.0885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 167.7
[M+Na]+ 324.07772 172.4
[M-H]- 300.08122 174.1
[M+NH4]+ 319.12232 181.9
[M+K]+ 340.05166 167.9
[M+H-H2O]+ 284.08576 159.2
[M+HCOO]- 346.08670 188.2
[M+CH3COO]- 360.10235 206.5
[M+Na-2H]- 322.06317 171.2
[M]+ 301.08795 167.4
[M]- 301.08905 167.4
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