CID 466934

Isopropyl 2-carbamoyl-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC(C)OC(=O)N1C(C=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C14H16N2O3/c1-9(2)19-14(18)16-11-6-4-3-5-10(11)7-8-12(16)13(15)17/h3-9,12H,1-2H3,(H2,15,17)
InChIKey
UZSGQFAKNFGXDA-UHFFFAOYSA-N
Compound name
propan-2-yl 2-carbamoyl-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.9
[M+Na]+ 283.105318 165.2
[M-H]- 259.108824 161.4
[M+NH4]+ 278.149923 174.7
[M+K]+ 299.079258 163.1
[M+H-H2O]+ 243.113360 151.5
[M+HCOO]- 305.114301 177.3
[M+CH3COO]- 319.129951 199.4
[M+Na-2H]- 281.090766 161.2
[M]+ 260.11555142 158.4
[M]- 260.11664858 158.4
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.