CID 3456428

4-(dimethylamino)-2-methyl-4'-nitroazobenzene

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=C(C=CC(=C1)N(C)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16N4O2/c1-11-10-14(18(2)3)8-9-15(11)17-16-12-4-6-13(7-5-12)19(20)21/h4-10H,1-3H3
InChIKey
QTEWRKZSKPOOQP-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.12732 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.134596 164.0
[M+Na]+ 307.116538 169.9
[M-H]- 283.120044 174.9
[M+NH4]+ 302.161143 179.9
[M+K]+ 323.090478 164.7
[M+H-H2O]+ 267.124580 159.1
[M+HCOO]- 329.125521 195.5
[M+CH3COO]- 343.141171 211.6
[M+Na-2H]- 305.101986 171.6
[M]+ 284.12677142 165.3
[M]- 284.12786858 165.3
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