CID 3071646

138112-94-4

Structural Information

Molecular Formula
C22H19N3O2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C=C1
InChI
InChI=1S/C22H19N3O2/c1-27-17-10-9-15-5-4-6-16(18(15)13-17)11-12-23-22(26)21-14-24-19-7-2-3-8-20(19)25-21/h2-10,13-14H,11-12H2,1H3,(H,23,26)
InChIKey
MAQVWTMJIGWNHJ-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

357.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.155016 185.4
[M+Na]+ 380.136958 193.6
[M-H]- 356.140464 191.1
[M+NH4]+ 375.181563 196.6
[M+K]+ 396.110898 187.0
[M+H-H2O]+ 340.145000 174.0
[M+HCOO]- 402.145941 205.4
[M+CH3COO]- 416.161591 195.1
[M+Na-2H]- 378.122406 193.6
[M]+ 357.14719142 188.5
[M]- 357.14828858 188.5
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

patents stripe