CID 54230357

94050-51-8

Structural Information

Molecular Formula

C₁₇H₁₇ClN₂O

SMILES

C1CC1C(=NOCC2=CC=C(C=C2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O/c18-15-7-5-14(6-8-15)17(13-3-4-13)20-21-11-12-1-9-16(19)10-2-12/h1-2,5-10,13H,3-4,11,19H2

InChIKey

QIUXDKQULXXHIG-UHFFFAOYSA-N

Compound name

4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 300.10294 Da
Monoisotopic Mass: 4.1
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]+	301.110216	162.6
[M+Na]+	323.092158	170.9
[M-H]-	299.095664	173.2
[M+NH4]+	318.136763	173.6
[M+K]+	339.066098	165.1
[M+H-H2O]+	283.100200	154.9
[M+HCOO]-	345.101141	184.6
[M+CH3COO]-	359.116791	210.7
[M+Na-2H]-	321.077606	167.0
[M]+	300.10239142	166.4
[M]-	300.10348858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe