CID 387118

Nsc680516

Structural Information

Molecular Formula

C₁₈H₁₈N₄

SMILES

CC1=C(C=CC(=C1)N(C)C)N=NC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C18H18N4/c1-13-11-16(22(2)3)7-9-17(13)21-20-15-6-8-18-14(12-15)5-4-10-19-18/h4-12H,1-3H3

InChIKey

PYUGLZIVWJGWCX-UHFFFAOYSA-N

Compound name

N,N,3-trimethyl-4-(quinolin-6-yldiazenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 290.15314 Da
Monoisotopic Mass: 4.5
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]+	291.160416	168.3
[M+Na]+	313.142358	176.1
[M-H]-	289.145864	178.7
[M+NH4]+	308.186963	184.6
[M+K]+	329.116298	172.7
[M+H-H2O]+	273.150400	157.7
[M+HCOO]-	335.151341	196.4
[M+CH3COO]-	349.166991	219.4
[M+Na-2H]-	311.127806	176.8
[M]+	290.15259142	171.2
[M]-	290.15368858	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe