CID 5744397

Brn 0308543

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)NC(=O)OCCN(CC)CC
InChI
InChI=1S/C20H29N3O3/c1-4-7-13-25-19-15-18(16-10-8-9-11-17(16)21-19)22-20(24)26-14-12-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,22,24)
InChIKey
NKBLIDMWFPABSV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(2-butoxyquinolin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

359.2209 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22818 189.3
[M+Na]+ 382.21012 193.2
[M-H]- 358.21362 192.6
[M+NH4]+ 377.25472 201.7
[M+K]+ 398.18406 190.9
[M+H-H2O]+ 342.21816 179.5
[M+HCOO]- 404.21910 211.0
[M+CH3COO]- 418.23475 224.8
[M+Na-2H]- 380.19557 192.5
[M]+ 359.22035 195.6
[M]- 359.22145 195.6
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