CID 48749990

1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

Structural Information

Molecular Formula
C15H19N5OS
SMILES
CN1CCC(CC1)NC(=O)NC2=NC(=NS2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N5OS/c1-20-9-7-12(8-10-20)16-14(21)18-15-17-13(19-22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,16,17,18,19,21)
InChIKey
QBWILACOWOLDJA-UHFFFAOYSA-N
Compound name
1-(1-methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.13104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13832 171.2
[M+Na]+ 340.12026 176.5
[M-H]- 316.12376 176.7
[M+NH4]+ 335.16486 183.0
[M+K]+ 356.09420 171.5
[M+H-H2O]+ 300.12830 161.3
[M+HCOO]- 362.12924 185.9
[M+CH3COO]- 376.14489 180.4
[M+Na-2H]- 338.10571 171.9
[M]+ 317.13049 168.1
[M]- 317.13159 168.1
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