CID 3867464

Salor-int l414980-1ea

Structural Information

Molecular Formula
C19H18FN5OS
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3)F
InChI
InChI=1S/C19H18FN5OS/c1-3-10-25-18(16-6-4-5-9-21-16)23-24-19(25)27-12-17(26)22-14-8-7-13(2)15(20)11-14/h3-9,11H,1,10,12H2,2H3,(H,22,26)
InChIKey
CLZBKEMSWMDHAX-UHFFFAOYSA-N
Compound name
N-(3-fluoro-4-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1216 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12888 189.5
[M+Na]+ 406.11082 202.2
[M+NH4]+ 401.15542 194.5
[M+K]+ 422.08476 194.8
[M-H]- 382.11432 191.9
[M+Na-2H]- 404.09627 196.5
[M]+ 383.12105 192.2
[M]- 383.12215 192.2
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.