CID 385797

Nsc677191

Structural Information

Molecular Formula
C12H16N4OS
SMILES
CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCCCC3
InChI
InChI=1S/C12H16N4OS/c1-9-7-11(17)16-12(13-9)18-10(14-16)8-15-5-3-2-4-6-15/h7H,2-6,8H2,1H3
InChIKey
YXOIBJWBDIXRSD-UHFFFAOYSA-N
Compound name
7-methyl-2-(piperidin-1-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11178 158.5
[M+Na]+ 287.09372 169.2
[M-H]- 263.09722 161.3
[M+NH4]+ 282.13832 173.6
[M+K]+ 303.06766 164.1
[M+H-H2O]+ 247.10176 149.8
[M+HCOO]- 309.10270 171.6
[M+CH3COO]- 323.11835 169.8
[M+Na-2H]- 285.07917 160.2
[M]+ 264.10395 160.0
[M]- 264.10505 160.0
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.