CID 41463

Pyridate

Structural Information

Molecular Formula
C19H23ClN2O2S
SMILES
CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl
InChI
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey
JTZCTMAVMHRNTR-UHFFFAOYSA-N
Compound name
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

24719
Patents

378.11688 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12416 189.6
[M+Na]+ 401.10610 203.8
[M+NH4]+ 396.15070 196.7
[M+K]+ 417.08004 192.6
[M-H]- 377.10960 192.7
[M+Na-2H]- 399.09155 196.5
[M]+ 378.11633 193.3
[M]- 378.11743 193.3
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

patents stripe