CID 9589537

1h-pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C14H16N4OS
SMILES
CN1C=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H16N4OS/c1-18-9-3-4-12(18)10-15-17-14(20)16-11-5-7-13(19-2)8-6-11/h3-10H,1-2H3,(H2,16,17,20)/b15-10+
InChIKey
RBWPBZRESRMQLV-XNTDXEJSSA-N
Compound name
1-(4-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11178 167.0
[M+Na]+ 311.09372 176.7
[M+NH4]+ 306.13832 174.3
[M+K]+ 327.06766 169.9
[M-H]- 287.09722 171.5
[M+Na-2H]- 309.07917 173.8
[M]+ 288.10395 169.8
[M]- 288.10505 169.8
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.