CID 584435

B1433

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CNC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC

InChI

InChI=1S/C15H16N2O/c1-16-13-7-3-11(4-8-13)15(18)12-5-9-14(17-2)10-6-12/h3-10,16-17H,1-2H3

InChIKey

HXTBYXIZCDULQI-UHFFFAOYSA-N

Compound name

bis[4-(methylamino)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7627
Patents: 240.12627 Da
Monoisotopic Mass: 3.6
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]+	241.13355	154.5
[M+Na]+	263.11549	160.8
[M-H]-	239.11899	161.4
[M+NH4]+	258.16009	171.3
[M+K]+	279.08943	157.0
[M+H-H2O]+	223.12353	146.6
[M+HCOO]-	285.12447	180.0
[M+CH3COO]-	299.14012	199.2
[M+Na-2H]-	261.10094	160.1
[M]+	240.12572	153.4
[M]-	240.12682	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe