CID 17225

4'-nitro-4-dimethylaminoazobenzene

Structural Information

Molecular Formula
C14H14N4O2
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3
InChIKey
LSFRFLVWCKLQTO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

81
Patents

270.11166 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.118936 159.0
[M+Na]+ 293.100878 164.4
[M-H]- 269.104384 169.7
[M+NH4]+ 288.145483 175.1
[M+K]+ 309.074818 159.4
[M+H-H2O]+ 253.108920 154.1
[M+HCOO]- 315.109861 190.9
[M+CH3COO]- 329.125511 207.5
[M+Na-2H]- 291.086326 167.8
[M]+ 270.11111142 159.6
[M]- 270.11220858 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe