CID 4601247

2-({[4-(propan-2-yl)phenyl]amino}methyl)phenol

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CC(C)C1=CC=C(C=C1)NCC2=CC=CC=C2O

InChI

InChI=1S/C16H19NO/c1-12(2)13-7-9-15(10-8-13)17-11-14-5-3-4-6-16(14)18/h3-10,12,17-18H,11H2,1-2H3

InChIKey

SQWIAVFACXNAKF-UHFFFAOYSA-N

Compound name

2-[(4-propan-2-ylanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.14667 Da
Monoisotopic Mass: 4.2
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]+	242.153946	156.6
[M+Na]+	264.135888	162.6
[M-H]-	240.139394	161.9
[M+NH4]+	259.180493	173.1
[M+K]+	280.109828	158.3
[M+H-H2O]+	224.143930	149.2
[M+HCOO]-	286.144871	179.0
[M+CH3COO]-	300.160521	195.5
[M+Na-2H]-	262.121336	160.8
[M]+	241.14612142	155.4
[M]-	241.14721858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.