CID 3080176

Sr 26058

Structural Information

Molecular Formula
C21H28ClN3O3
SMILES
CCCN(CCC)C(=O)C(C)NC1=C2C=C(C=CC2=NC=C1C(=O)OCC)Cl
InChI
InChI=1S/C21H28ClN3O3/c1-5-10-25(11-6-2)20(26)14(4)24-19-16-12-15(22)8-9-18(16)23-13-17(19)21(27)28-7-3/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,23,24)
InChIKey
BXSAHRFOQMODHQ-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18192 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18920 198.7
[M+Na]+ 428.17114 203.7
[M-H]- 404.17464 202.4
[M+NH4]+ 423.21574 210.3
[M+K]+ 444.14508 200.1
[M+H-H2O]+ 388.17918 190.4
[M+HCOO]- 450.18012 213.8
[M+CH3COO]- 464.19577 233.5
[M+Na-2H]- 426.15659 198.1
[M]+ 405.18137 206.3
[M]- 405.18247 206.3
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.