CID 84756

Usaf gy-1

Structural Information

Molecular Formula

C₂₀H₂₀N₂

SMILES

CC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3C

InChI

InChI=1S/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3

InChIKey

MDZBMZIJIUEQJS-UHFFFAOYSA-N

Compound name

1-N,4-N-bis(2-methylphenyl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 706
Patents: 288.16266 Da
Monoisotopic Mass: 5.7
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]+	289.16994	168.4
[M+Na]+	311.15188	174.9
[M-H]-	287.15538	178.1
[M+NH4]+	306.19648	183.2
[M+K]+	327.12582	168.8
[M+H-H2O]+	271.15992	159.1
[M+HCOO]-	333.16086	194.0
[M+CH3COO]-	347.17651	179.9
[M+Na-2H]-	309.13733	174.4
[M]+	288.16211	166.7
[M]-	288.16321	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe