CID 9623447

477730-99-7

Structural Information

Molecular Formula
C20H21N5OS
SMILES
CCNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C20H21N5OS/c1-3-21-20(27)23-22-13-16-14-25(17-7-5-4-6-8-17)24-19(16)15-9-11-18(26-2)12-10-15/h4-14H,3H2,1-2H3,(H2,21,23,27)/b22-13+
InChIKey
QOMGYUBPSJVFCL-LPYMAVHISA-N
Compound name
1-ethyl-3-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15395 190.2
[M+Na]+ 402.13589 201.9
[M+NH4]+ 397.18049 196.9
[M+K]+ 418.10983 193.9
[M-H]- 378.13939 196.7
[M+Na-2H]- 400.12134 199.2
[M]+ 379.14612 194.0
[M]- 379.14722 194.0
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.