CID 224870

Nsc13717

Structural Information

Molecular Formula
C20H21N3O
SMILES
CN(C)C1=CC=C(C=C1)C(=N)CC2=NC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C20H21N3O/c1-23(2)17-8-5-14(6-9-17)19(21)13-16-7-4-15-12-18(24-3)10-11-20(15)22-16/h4-12,21H,13H2,1-3H3
InChIKey
QSTRBAPWUYQORA-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxyquinolin-2-yl)ethanimidoyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.16846 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 177.0
[M+Na]+ 342.15768 183.4
[M-H]- 318.16118 184.4
[M+NH4]+ 337.20228 190.8
[M+K]+ 358.13162 179.1
[M+H-H2O]+ 302.16572 167.1
[M+HCOO]- 364.16666 199.6
[M+CH3COO]- 378.18231 219.0
[M+Na-2H]- 340.14313 182.0
[M]+ 319.16791 178.4
[M]- 319.16901 178.4
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

patents stripe