CID 82307

N-isopropylmethylenedianiline

Structural Information

Molecular Formula

C₁₆H₂₀N₂

SMILES

CC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C16H20N2/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h3-10,12,18H,11,17H2,1-2H3

InChIKey

OYZBHMQKSAYWAI-UHFFFAOYSA-N

Compound name

4-[[4-(propan-2-ylamino)phenyl]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12
Patents: 240.16264 Da
Monoisotopic Mass: 3.1
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]+	241.169916	157.4
[M+Na]+	263.151858	163.1
[M-H]-	239.155364	163.5
[M+NH4]+	258.196463	174.2
[M+K]+	279.125798	158.8
[M+H-H2O]+	223.159900	149.6
[M+HCOO]-	285.160841	181.5
[M+CH3COO]-	299.176491	200.4
[M+Na-2H]-	261.137306	161.4
[M]+	240.16209142	155.0
[M]-	240.16318858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe