CID 65709

Caroverine

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKey
MSPRUJDUTKRMLM-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

77
References

2274
Patents

365.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 190.5
[M+Na]+ 388.19955 205.8
[M+NH4]+ 383.24415 197.7
[M+K]+ 404.17349 196.7
[M-H]- 364.20305 195.4
[M+Na-2H]- 386.18500 198.6
[M]+ 365.20978 194.2
[M]- 365.21088 194.2
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

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