CID 110979

7383-98-4

Structural Information

Molecular Formula

C₁₆H₂₀N₂

SMILES

CCC(C)NC1=CC=CC=C1NC2=CC=CC=C2

InChI

InChI=1S/C16H20N2/c1-3-13(2)17-15-11-7-8-12-16(15)18-14-9-5-4-6-10-14/h4-13,17-18H,3H2,1-2H3

InChIKey

OWHWHWGFYMLSTN-UHFFFAOYSA-N

Compound name

2-N-butan-2-yl-1-N-phenylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 240.16264 Da
Monoisotopic Mass: 4.8
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]+	241.169916	156.6
[M+Na]+	263.151858	161.3
[M-H]-	239.155364	162.8
[M+NH4]+	258.196463	173.3
[M+K]+	279.125798	157.3
[M+H-H2O]+	223.159900	148.5
[M+HCOO]-	285.160841	181.4
[M+CH3COO]-	299.176491	199.8
[M+Na-2H]-	261.137306	162.5
[M]+	240.16209142	154.8
[M]-	240.16318858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe