CID 29725

T 1138

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCOC1=C2C(=C(C=C1)NC(=O)CNC(C)C)C=CC=N2
InChI
InChI=1S/C16H21N3O2/c1-4-21-14-8-7-13(12-6-5-9-17-16(12)14)19-15(20)10-18-11(2)3/h5-9,11,18H,4,10H2,1-3H3,(H,19,20)
InChIKey
GQQCJTROLAVYGT-UHFFFAOYSA-N
Compound name
N-(8-ethoxyquinolin-5-yl)-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.0
[M+Na]+ 310.15262 173.5
[M-H]- 286.15612 170.8
[M+NH4]+ 305.19722 182.8
[M+K]+ 326.12656 170.6
[M+H-H2O]+ 270.16066 159.6
[M+HCOO]- 332.16160 189.5
[M+CH3COO]- 346.17725 209.1
[M+Na-2H]- 308.13807 172.9
[M]+ 287.16285 169.8
[M]- 287.16395 169.8
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.