CID 89550

21912-88-9

Structural Information

Molecular Formula

C₁₆H₁₇N

SMILES

CNCC=C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H17N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,17H,13H2,1H3

InChIKey

BBLCCLMHOBSTTH-UHFFFAOYSA-N

Compound name

N-methyl-3,3-diphenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.1361 Da
Monoisotopic Mass: 3.8
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]+	224.143376	152.2
[M+Na]+	246.125318	157.2
[M-H]-	222.128824	158.2
[M+NH4]+	241.169923	169.6
[M+K]+	262.099258	152.6
[M+H-H2O]+	206.133360	144.5
[M+HCOO]-	268.134301	176.2
[M+CH3COO]-	282.149951	192.3
[M+Na-2H]-	244.110766	158.4
[M]+	223.13555142	149.8
[M]-	223.13664858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe