CID 466902

Propyl 2-cyano-6-(propoxycarbonylamino)-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CCCOC(=O)NC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OCCC
InChI
InChI=1S/C18H21N3O4/c1-3-9-24-17(22)20-14-6-8-16-13(11-14)5-7-15(12-19)21(16)18(23)25-10-4-2/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKey
ONTNQYNWVVMUKB-UHFFFAOYSA-N
Compound name
propyl 2-cyano-6-(propoxycarbonylamino)-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.1532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 180.9
[M+Na]+ 366.14242 188.4
[M-H]- 342.14592 182.4
[M+NH4]+ 361.18702 192.2
[M+K]+ 382.11636 184.4
[M+H-H2O]+ 326.15046 166.1
[M+HCOO]- 388.15140 196.3
[M+CH3COO]- 402.16705 223.1
[M+Na-2H]- 364.12787 182.3
[M]+ 343.15265 179.0
[M]- 343.15375 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.