CID 5136264

6373-90-6

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C15H16N4O3/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19(20)21)10-15(14)22-3/h4-10H,1-3H3
InChIKey
VNNVVRUTTJCFKZ-UHFFFAOYSA-N
Compound name
4-[(2-methoxy-4-nitrophenyl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.12225 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.129526 167.1
[M+Na]+ 323.111468 172.7
[M-H]- 299.114974 177.9
[M+NH4]+ 318.156073 182.1
[M+K]+ 339.085408 168.1
[M+H-H2O]+ 283.119510 161.8
[M+HCOO]- 345.120451 198.7
[M+CH3COO]- 359.136101 213.7
[M+Na-2H]- 321.096916 174.8
[M]+ 300.12170142 169.6
[M]- 300.12279858 169.6
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