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 171.5
[M+Na]+ 332.11517 175.6
[M-H]- 308.11867 175.1
[M+NH4]+ 327.15977 180.9
[M+K]+ 348.08911 173.4
[M+H-H2O]+ 292.12321 161.2
[M+HCOO]- 354.12415 184.4
[M+CH3COO]- 368.13980 208.4
[M+Na-2H]- 330.10062 173.8
[M]+ 309.12540 171.0
[M]- 309.12650 171.0
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.