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 195.9
[M+Na]+ 416.14032 203.2
[M-H]- 392.14382 202.1
[M+NH4]+ 411.18492 206.2
[M+K]+ 432.11426 195.1
[M+H-H2O]+ 376.14836 186.8
[M+HCOO]- 438.14930 210.2
[M+CH3COO]- 452.16495 221.3
[M+Na-2H]- 414.12577 191.8
[M]+ 393.15055 197.5
[M]- 393.15165 197.5
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.