CID 455930

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

Structural Information

Molecular Formula
C20H21ClN2O
SMILES
CC(=CCN1[C@H](C(=O)NC2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C
InChI
InChI=1S/C20H21ClN2O/c1-14(2)10-11-23-18-13-16(21)8-9-17(18)22-20(24)19(23)12-15-6-4-3-5-7-15/h3-10,13,19H,11-12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKey
LTWZYAMVHMWMCC-IBGZPJMESA-N
Compound name
(3S)-3-benzyl-6-chloro-4-(3-methylbut-2-enyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13425 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14153 182.2
[M+Na]+ 363.12347 189.8
[M-H]- 339.12697 184.8
[M+NH4]+ 358.16807 194.2
[M+K]+ 379.09741 181.3
[M+H-H2O]+ 323.13151 173.2
[M+HCOO]- 385.13245 192.1
[M+CH3COO]- 399.14810 191.0
[M+Na-2H]- 361.10892 183.1
[M]+ 340.13370 181.4
[M]- 340.13480 181.4
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.