CID 56950

Brn 5612189

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
CC(=NNC(=O)CSC1=NC=NC(=C1)N2CCOCC2)C
InChI
InChI=1S/C13H19N5O2S/c1-10(2)16-17-12(19)8-21-13-7-11(14-9-15-13)18-3-5-20-6-4-18/h7,9H,3-6,8H2,1-2H3,(H,17,19)
InChIKey
JJCPDGXCWWLOAI-UHFFFAOYSA-N
Compound name
2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12595 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 169.9
[M+Na]+ 332.11517 179.2
[M+NH4]+ 327.15977 175.5
[M+K]+ 348.08911 172.7
[M-H]- 308.11867 173.4
[M+Na-2H]- 330.10062 174.7
[M]+ 309.12540 172.3
[M]- 309.12650 172.3
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.