CID 741654

1-(4-antipyryl)-3-(morpholino)-2-thiourea

Structural Information

Molecular Formula
C16H20N4O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCOCC3
InChI
InChI=1S/C16H20N4O2S/c1-12-14(17-16(23)19-8-10-22-11-9-19)15(21)20(18(12)2)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,23)
InChIKey
QCTFIPXPNUSWCO-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.1307 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13798 178.7
[M+Na]+ 355.11992 186.5
[M-H]- 331.12342 185.6
[M+NH4]+ 350.16452 189.5
[M+K]+ 371.09386 182.1
[M+H-H2O]+ 315.12796 169.6
[M+HCOO]- 377.12890 191.5
[M+CH3COO]- 391.14455 188.6
[M+Na-2H]- 353.10537 176.7
[M]+ 332.13015 178.6
[M]- 332.13125 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.