CID 3000481

Schembl7175104

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C[C@H]1C(=O)NC2=C(N1CC=C(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2O/c1-9(2)6-7-17-10(3)14(18)16-12-5-4-11(15)8-13(12)17/h4-6,8,10H,7H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKey
JZIPPAISLIBUNX-JTQLQIEISA-N
Compound name
(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.10294 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 160.5
[M+Na]+ 287.09216 169.5
[M-H]- 263.09566 160.6
[M+NH4]+ 282.13676 176.3
[M+K]+ 303.06610 163.0
[M+H-H2O]+ 247.10020 153.9
[M+HCOO]- 309.10114 171.1
[M+CH3COO]- 323.11679 196.3
[M+Na-2H]- 285.07761 162.3
[M]+ 264.10239 160.1
[M]- 264.10349 160.1
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.