CID 210666

Poli 37

Structural Information

Molecular Formula
C19H23N3OS
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC(=S)N4CCOCC4
InChI
InChI=1S/C19H23N3OS/c24-19(21-10-12-23-13-11-21)14-17-16-8-4-5-9-18(16)22(20-17)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKey
HTPZNULHOTXURU-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)ethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1562 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16348 180.3
[M+Na]+ 364.14542 185.2
[M-H]- 340.14892 186.1
[M+NH4]+ 359.19002 191.1
[M+K]+ 380.11936 180.5
[M+H-H2O]+ 324.15346 170.5
[M+HCOO]- 386.15440 187.9
[M+CH3COO]- 400.17005 188.5
[M+Na-2H]- 362.13087 178.4
[M]+ 341.15565 176.4
[M]- 341.15675 176.4
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.