CID 3071618

137927-78-7

Structural Information

Molecular Formula
C15H15FN4O2S
SMILES
CC(=NNC(=O)CSC1=NC=NC(=C1)OC2=CC=C(C=C2)F)C
InChI
InChI=1S/C15H15FN4O2S/c1-10(2)19-20-13(21)8-23-15-7-14(17-9-18-15)22-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKey
IJDPVAIJEKZOCY-UHFFFAOYSA-N
Compound name
2-[6-(4-fluorophenoxy)pyrimidin-4-yl]sulfanyl-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08997 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09725 173.2
[M+Na]+ 357.07919 183.8
[M+NH4]+ 352.12379 178.7
[M+K]+ 373.05313 176.1
[M-H]- 333.08269 175.2
[M+Na-2H]- 355.06464 180.0
[M]+ 334.08942 175.4
[M]- 334.09052 175.4
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.