CID 56951

Brn 5603895

Structural Information

Molecular Formula
C14H21N5OS
SMILES
CC(=NNC(=O)CSC1=NC=NC(=C1)N2CCCCC2)C
InChI
InChI=1S/C14H21N5OS/c1-11(2)17-18-13(20)9-21-14-8-12(15-10-16-14)19-6-4-3-5-7-19/h8,10H,3-7,9H2,1-2H3,(H,18,20)
InChIKey
RFWRYKULHLZFPR-UHFFFAOYSA-N
Compound name
2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.153946 171.1
[M+Na]+ 330.135888 174.7
[M-H]- 306.139394 173.8
[M+NH4]+ 325.180493 181.9
[M+K]+ 346.109828 170.9
[M+H-H2O]+ 290.143930 160.9
[M+HCOO]- 352.144871 184.3
[M+CH3COO]- 366.160521 209.1
[M+Na-2H]- 328.121336 172.4
[M]+ 307.14612142 169.1
[M]- 307.14721858 169.1
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

No patent data available for this compound.