CID 201014

3097-77-6

Structural Information

Molecular Formula

C₁₅H₁₃N₃

SMILES

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)[N+]#[C-])C

InChI

InChI=1S/C15H13N3/c1-11-6-4-5-7-15(11)18-17-13-8-9-14(16-3)12(2)10-13/h4-10H,1-2H3

InChIKey

VEKJVLXDRAFDSC-UHFFFAOYSA-N

Compound name

(4-isocyano-3-methylphenyl)-(2-methylphenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.11095 Da
Monoisotopic Mass: 4.1
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]+	236.11823	162.2
[M+Na]+	258.10017	171.8
[M-H]-	234.10367	168.6
[M+NH4]+	253.14477	177.8
[M+K]+	274.07411	161.9
[M+H-H2O]+	218.10821	152.0
[M+HCOO]-	280.10915	185.6
[M+CH3COO]-	294.12480	204.3
[M+Na-2H]-	256.08562	168.3
[M]+	235.11040	155.2
[M]-	235.11150	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe