CID 53846

C 3222

Structural Information

Molecular Formula
C26H33N3O2
SMILES
CCN(CC)CCN(C1=C(C=CC=C1C)C)C(=O)C2=CC(=NC3=CC=CC=C32)OCC
InChI
InChI=1S/C26H33N3O2/c1-6-28(7-2)16-17-29(25-19(4)12-11-13-20(25)5)26(30)22-18-24(31-8-3)27-23-15-10-9-14-21(22)23/h9-15,18H,6-8,16-17H2,1-5H3
InChIKey
XNSBYHKQOIYDTR-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-2-ethoxyquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.25726 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26454 208.5
[M+Na]+ 442.24648 212.8
[M-H]- 418.24998 216.4
[M+NH4]+ 437.29108 218.8
[M+K]+ 458.22042 209.5
[M+H-H2O]+ 402.25452 197.0
[M+HCOO]- 464.25546 229.4
[M+CH3COO]- 478.27111 242.6
[M+Na-2H]- 440.23193 208.6
[M]+ 419.25671 214.7
[M]- 419.25781 214.7
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.