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]+ 344.160476 180.9
[M+Na]+ 366.142418 188.4
[M-H]- 342.145924 182.4
[M+NH4]+ 361.187023 192.2
[M+K]+ 382.116358 184.4
[M+H-H2O]+ 326.150460 166.1
[M+HCOO]- 388.151401 196.3
[M+CH3COO]- 402.167051 223.1
[M+Na-2H]- 364.127866 182.3
[M]+ 343.15265142 179.0
[M]- 343.15374858 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.