CID 2064012

142529-68-8

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CN=CC=C3
InChI
InChI=1S/C18H19N5O2S/c1-3-23-17(13-5-4-10-19-11-13)21-22-18(23)26-12-16(24)20-14-6-8-15(25-2)9-7-14/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKey
YDLYFVYQQFSWOH-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

369.12595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 185.5
[M+Na]+ 392.11517 198.7
[M+NH4]+ 387.15977 191.2
[M+K]+ 408.08911 191.8
[M-H]- 368.11867 189.2
[M+Na-2H]- 390.10062 193.6
[M]+ 369.12540 188.7
[M]- 369.12650 188.7
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

patents stripe