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]+ 308.15395 171.1
[M+Na]+ 330.13589 174.7
[M-H]- 306.13939 173.8
[M+NH4]+ 325.18049 181.9
[M+K]+ 346.10983 170.9
[M+H-H2O]+ 290.14393 160.9
[M+HCOO]- 352.14487 184.3
[M+CH3COO]- 366.16052 209.1
[M+Na-2H]- 328.12134 172.4
[M]+ 307.14612 169.1
[M]- 307.14722 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.