CID 757490

380432-30-4

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O

InChI

InChI=1S/C14H14N2O2/c1-16-7-6-12-10(8-16)13(14(17)18)9-4-2-3-5-11(9)15-12/h2-5H,6-8H2,1H3,(H,17,18)

InChIKey

YJLLXEJOXOYNGU-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 242.10553 Da
Monoisotopic Mass: -0.7
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]+	243.112806	153.9
[M+Na]+	265.094748	162.0
[M-H]-	241.098254	155.0
[M+NH4]+	260.139353	170.0
[M+K]+	281.068688	157.5
[M+H-H2O]+	225.102790	145.8
[M+HCOO]-	287.103731	168.8
[M+CH3COO]-	301.119381	164.8
[M+Na-2H]-	263.080196	160.0
[M]+	242.10498142	152.0
[M]-	242.10607858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe