CID 11208289

353497-37-7

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

COC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)OC

InChI

InChI=1S/C17H15NO3/c1-20-16-11-12-7-3-5-9-14(12)18(17(19)21-2)15-10-6-4-8-13(15)16/h3-11H,1-2H3

InChIKey

KUNLJAIXGWRPFX-UHFFFAOYSA-N

Compound name

methyl 5-methoxybenzo[b][1]benzazepine-11-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 281.1052 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]+	282.112476	161.0
[M+Na]+	304.094418	169.4
[M-H]-	280.097924	166.9
[M+NH4]+	299.139023	177.2
[M+K]+	320.068358	170.3
[M+H-H2O]+	264.102460	155.0
[M+HCOO]-	326.103401	180.7
[M+CH3COO]-	340.119051	173.0
[M+Na-2H]-	302.079866	167.8
[M]+	281.10465142	162.6
[M]-	281.10574858	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe