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 174.5
[M+Na]+ 357.07919 181.3
[M-H]- 333.08269 178.5
[M+NH4]+ 352.12379 185.8
[M+K]+ 373.05313 176.7
[M+H-H2O]+ 317.08723 163.6
[M+HCOO]- 379.08817 191.9
[M+CH3COO]- 393.10382 214.2
[M+Na-2H]- 355.06464 176.8
[M]+ 334.08942 177.2
[M]- 334.09052 177.2
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.