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

4
Patents

357.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 185.4
[M+Na]+ 380.13696 193.6
[M-H]- 356.14046 191.1
[M+NH4]+ 375.18156 196.6
[M+K]+ 396.11090 187.0
[M+H-H2O]+ 340.14500 174.0
[M+HCOO]- 402.14594 205.4
[M+CH3COO]- 416.16159 195.1
[M+Na-2H]- 378.12241 193.6
[M]+ 357.14719 188.5
[M]- 357.14829 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