CID 170293

40292-22-6

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H17NO/c1-11(2)12-3-5-13(6-4-12)16(18)14-7-9-15(17)10-8-14/h3-11H,17H2,1-2H3

InChIKey

LOWKEYACSTXUQV-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-(4-propan-2-ylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 239.13101 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]+	240.138286	155.9
[M+Na]+	262.120228	162.4
[M-H]-	238.123734	162.3
[M+NH4]+	257.164833	172.9
[M+K]+	278.094168	158.6
[M+H-H2O]+	222.128270	148.5
[M+HCOO]-	284.129211	178.4
[M+CH3COO]-	298.144861	197.5
[M+Na-2H]-	260.105676	158.3
[M]+	239.13046142	154.3
[M]-	239.13155858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe