CID 3740975

765286-90-6

Structural Information

Molecular Formula
C22H23N3O2S
SMILES
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)C2N=CC3=CC=CC(=C3O)CC=C
InChI
InChI=1S/C22H23N3O2S/c1-4-7-15-8-5-10-17(21(15)26)13-23-20-19(24-25-22(20)28)16-9-6-11-18(12-16)27-14(2)3/h4-6,8-14,20,26H,1,7H2,2-3H3,(H,25,28)
InChIKey
SQODMDVMQXCWCY-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1,4-dihydropyrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1511 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15838 196.8
[M+Na]+ 416.14032 208.9
[M+NH4]+ 411.18492 202.6
[M+K]+ 432.11426 201.2
[M-H]- 392.14382 201.0
[M+Na-2H]- 414.12577 202.7
[M]+ 393.15055 200.0
[M]- 393.15165 200.0
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.