CID 4116749

59741-09-2

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₃

SMILES

COC1=CC=CC(=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H14N2O3/c1-21-14-8-3-7-13(11-14)19-17(20)22-15-9-2-5-12-6-4-10-18-16(12)15/h2-11H,1H3,(H,19,20)

InChIKey

DPXMLSDSCUXHRR-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-(3-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 294.10043 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.10771	165.8
[M+Na]+	317.08965	173.2
[M-H]-	293.09315	172.1
[M+NH4]+	312.13425	180.1
[M+K]+	333.06359	169.5
[M+H-H2O]+	277.09769	156.4
[M+HCOO]-	339.09863	188.4
[M+CH3COO]-	353.11428	203.5
[M+Na-2H]-	315.07510	173.5
[M]+	294.09988	167.9
[M]-	294.10098	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe