CID 1500024

1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)piperazine

Structural Information

Molecular Formula
C13H16N4S
SMILES
CN1CCN(CC1)C2=NN=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C13H16N4S/c1-16-7-9-17(10-8-16)13-15-14-12(18-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey
BCIPEJZZNBCBIU-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-phenyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10956 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11684 158.5
[M+Na]+ 283.09878 166.8
[M-H]- 259.10228 162.9
[M+NH4]+ 278.14338 172.1
[M+K]+ 299.07272 161.8
[M+H-H2O]+ 243.10682 148.7
[M+HCOO]- 305.10776 171.2
[M+CH3COO]- 319.12341 169.2
[M+Na-2H]- 281.08423 158.8
[M]+ 260.10901 156.5
[M]- 260.11011 156.5
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

No patent data available for this compound.