CID 135765080

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

Structural Information

Molecular Formula
C13H14N4OS
SMILES
COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CN2
InChI
InChI=1S/C13H14N4OS/c1-18-12-6-4-10(5-7-12)16-13(19)17-15-9-11-3-2-8-14-11/h2-9,14H,1H3,(H2,16,17,19)/b15-9+
InChIKey
CTPBKKWIVCSATP-OQLLNIDSSA-N
Compound name
1-(4-methoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08884 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09612 161.9
[M+Na]+ 297.07806 170.9
[M+NH4]+ 292.12266 169.0
[M+K]+ 313.05200 164.6
[M-H]- 273.08156 165.9
[M+Na-2H]- 295.06351 168.7
[M]+ 274.08829 164.4
[M]- 274.08939 164.4
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.