CID 455929

(3s)-6-chloro-3-isopropyl-4-(3-methylbut-2-enyl)-1,3-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C16H21ClN2O
SMILES
CC(C)[C@H]1C(=O)NC2=C(N1CC=C(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C16H21ClN2O/c1-10(2)7-8-19-14-9-12(17)5-6-13(14)18-16(20)15(19)11(3)4/h5-7,9,11,15H,8H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKey
JSYKLGIOTPEPCP-HNNXBMFYSA-N
Compound name
(3S)-6-chloro-4-(3-methylbut-2-enyl)-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13425 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14153 168.8
[M+Na]+ 315.12347 176.8
[M-H]- 291.12697 168.7
[M+NH4]+ 310.16807 183.5
[M+K]+ 331.09741 170.2
[M+H-H2O]+ 275.13151 162.1
[M+HCOO]- 337.13245 177.9
[M+CH3COO]- 351.14810 203.2
[M+Na-2H]- 313.10892 168.5
[M]+ 292.13370 168.6
[M]- 292.13480 168.6
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.