CID 210669

Poli 66

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
COC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)CC(=S)N4CCOCC4
InChI
InChI=1S/C19H23N3O2S/c1-23-15-7-5-14(6-8-15)22-18-4-2-3-16(18)17(20-22)13-19(25)21-9-11-24-12-10-21/h5-8H,2-4,9-13H2,1H3
InChIKey
PSLKIKDJDRZBQA-UHFFFAOYSA-N
Compound name
2-[1-(4-methoxyphenyl)-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

357.1511 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 184.9
[M+Na]+ 380.14032 191.5
[M-H]- 356.14382 192.1
[M+NH4]+ 375.18492 197.5
[M+K]+ 396.11426 188.0
[M+H-H2O]+ 340.14836 176.7
[M+HCOO]- 402.14930 195.1
[M+CH3COO]- 416.16495 194.2
[M+Na-2H]- 378.12577 180.4
[M]+ 357.15055 185.5
[M]- 357.15165 185.5
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

patents stripe