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

2
Patents

235.11095 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.118226 162.2
[M+Na]+ 258.100168 171.8
[M-H]- 234.103674 168.6
[M+NH4]+ 253.144773 177.8
[M+K]+ 274.074108 161.9
[M+H-H2O]+ 218.108210 152.0
[M+HCOO]- 280.109151 185.6
[M+CH3COO]- 294.124801 204.3
[M+Na-2H]- 256.085616 168.3
[M]+ 235.11040142 155.2
[M]- 235.11149858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe