CID 1045572

442672-43-7

Structural Information

Molecular Formula
C18H17FN4O2S
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3)F
InChI
InChI=1S/C18H17FN4O2S/c1-3-8-23-17(15-5-4-9-25-15)21-22-18(23)26-11-16(24)20-13-7-6-12(2)14(19)10-13/h3-7,9-10H,1,8,11H2,2H3,(H,20,24)
InChIKey
ZEYHPNOQSATZAE-UHFFFAOYSA-N
Compound name
N-(3-fluoro-4-methylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.10562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11290 187.4
[M+Na]+ 395.09484 199.4
[M+NH4]+ 390.13944 192.5
[M+K]+ 411.06878 194.8
[M-H]- 371.09834 190.8
[M+Na-2H]- 393.08029 193.0
[M]+ 372.10507 190.3
[M]- 372.10617 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.