CID 210667

Poli 58

Structural Information

Molecular Formula
C18H20ClN3OS
SMILES
C1CC2=C(C1)N(N=C2CC(=S)N3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H20ClN3OS/c19-13-4-6-14(7-5-13)22-17-3-1-2-15(17)16(20-22)12-18(24)21-8-10-23-11-9-21/h4-7H,1-3,8-12H2
InChIKey
KJSVJCYNBUTMLM-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1-morpholin-4-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.10156 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10884 182.0
[M+Na]+ 384.09078 194.9
[M+NH4]+ 379.13538 190.7
[M+K]+ 400.06472 188.8
[M-H]- 360.09428 187.6
[M+Na-2H]- 382.07623 186.9
[M]+ 361.10101 186.1
[M]- 361.10211 186.1
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

patents stripe