CID 3818565

618427-40-0

Structural Information

Molecular Formula
C20H18N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CN=C4
InChI
InChI=1S/C20H18N6OS/c1-2-26-19(17-12-21-10-11-22-17)24-25-20(26)28-13-18(27)23-16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,2,13H2,1H3,(H,23,27)
InChIKey
AQOULYQCJSVUDR-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12628 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13356 188.6
[M+Na]+ 413.11550 204.6
[M+NH4]+ 408.16010 195.1
[M+K]+ 429.08944 196.3
[M-H]- 389.11900 193.4
[M+Na-2H]- 411.10095 198.5
[M]+ 390.12573 192.7
[M]- 390.12683 192.7
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

No patent data available for this compound.