CID 9681972

477731-07-0

Structural Information

Molecular Formula
C20H21N5S
SMILES
CCNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C20H21N5S/c1-3-21-20(26)23-22-13-17-14-25(18-7-5-4-6-8-18)24-19(17)16-11-9-15(2)10-12-16/h4-14H,3H2,1-2H3,(H2,21,23,26)/b22-13+
InChIKey
UEILDTJIWLTXGF-LPYMAVHISA-N
Compound name
1-ethyl-3-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.15176 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15904 187.0
[M+Na]+ 386.14098 199.2
[M+NH4]+ 381.18558 194.3
[M+K]+ 402.11492 190.7
[M-H]- 362.14448 194.0
[M+Na-2H]- 384.12643 196.5
[M]+ 363.15121 191.0
[M]- 363.15231 191.0
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.