CID 3000452

146739-86-8

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CC(=C)OC(=O)N1C2=C(C=CC(=C2)Cl)NC(=S)C1(C)C
InChI
InChI=1S/C14H15ClN2O2S/c1-8(2)19-13(18)17-11-7-9(15)5-6-10(11)16-12(20)14(17,3)4/h5-7H,1H2,2-4H3,(H,16,20)
InChIKey
UNOJVGJCKUQAGH-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-sulfanylidene-4H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

197
Patents

310.0543 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06158 164.0
[M+Na]+ 333.04352 173.6
[M-H]- 309.04702 164.7
[M+NH4]+ 328.08812 180.5
[M+K]+ 349.01746 167.5
[M+H-H2O]+ 293.05156 159.2
[M+HCOO]- 355.05250 169.1
[M+CH3COO]- 369.06815 201.0
[M+Na-2H]- 331.02897 164.2
[M]+ 310.05375 166.5
[M]- 310.05485 166.5
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