CID 15525200

Tert-butyl (2-formylquinolin-8-yl)carbamate

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC2=C1N=C(C=C2)C=O
InChI
InChI=1S/C15H16N2O3/c1-15(2,3)20-14(19)17-12-6-4-5-10-7-8-11(9-18)16-13(10)12/h4-9H,1-3H3,(H,17,19)
InChIKey
FWVLNLWSXSAYHM-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylquinolin-8-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 162.5
[M+Na]+ 295.105318 170.4
[M-H]- 271.108824 165.9
[M+NH4]+ 290.149923 178.5
[M+K]+ 311.079258 167.6
[M+H-H2O]+ 255.113360 155.2
[M+HCOO]- 317.114301 183.1
[M+CH3COO]- 331.129951 200.4
[M+Na-2H]- 293.090766 169.5
[M]+ 272.11555142 165.4
[M]- 272.11664858 165.4
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

patents stripe