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]+ 261.12338 158.9
[M+Na]+ 283.10532 165.2
[M-H]- 259.10882 161.4
[M+NH4]+ 278.14992 174.7
[M+K]+ 299.07926 163.1
[M+H-H2O]+ 243.11336 151.5
[M+HCOO]- 305.11430 177.3
[M+CH3COO]- 319.12995 199.4
[M+Na-2H]- 281.09077 161.2
[M]+ 260.11555 158.4
[M]- 260.11665 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.