CID 3071617

Brn 5448518

Structural Information

Molecular Formula
C15H16N4O2S
SMILES
CC(=NNC(=O)CSC1=NC=NC(=C1)OC2=CC=CC=C2)C
InChI
InChI=1S/C15H16N4O2S/c1-11(2)18-19-13(20)9-22-15-8-14(16-10-17-15)21-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKey
QTPCYIARPDKHQU-UHFFFAOYSA-N
Compound name
2-(6-phenoxypyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10668 171.8
[M+Na]+ 339.08862 177.8
[M-H]- 315.09212 176.9
[M+NH4]+ 334.13322 183.7
[M+K]+ 355.06256 173.7
[M+H-H2O]+ 299.09666 161.8
[M+HCOO]- 361.09760 190.4
[M+CH3COO]- 375.11325 210.3
[M+Na-2H]- 337.07407 175.4
[M]+ 316.09885 175.1
[M]- 316.09995 175.1
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.