CID 12554715

Schembl11368097

Structural Information

Molecular Formula

C₁₇H₁₉N₃

SMILES

CC1=NC2=CC=CC=C2C(=C1)N=C=NC3CCCCC3

InChI

InChI=1S/C17H19N3/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3

InChIKey

WLHLDTAFNKPYSI-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N'-(2-methylquinolin-4-yl)methanediimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1579 Da
Monoisotopic Mass: 5.5
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]+	266.165176	161.2
[M+Na]+	288.147118	166.5
[M-H]-	264.150624	168.9
[M+NH4]+	283.191723	177.8
[M+K]+	304.121058	162.0
[M+H-H2O]+	248.155160	151.2
[M+HCOO]-	310.156101	184.1
[M+CH3COO]-	324.171751	172.4
[M+Na-2H]-	286.132566	168.2
[M]+	265.15735142	157.6
[M]-	265.15844858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe