CID 21043

4-(diethylamino)-4'-ethylazobenzene

Structural Information

Molecular Formula
C18H23N3
SMILES
CCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C18H23N3/c1-4-15-7-9-16(10-8-15)19-20-17-11-13-18(14-12-17)21(5-2)6-3/h7-14H,4-6H2,1-3H3
InChIKey
PQPOCSPPXRINCI-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(4-ethylphenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 168.9
[M+Na]+ 304.178418 174.4
[M-H]- 280.181924 179.2
[M+NH4]+ 299.223023 185.9
[M+K]+ 320.152358 172.0
[M+H-H2O]+ 264.186460 159.2
[M+HCOO]- 326.187401 198.6
[M+CH3COO]- 340.203051 218.2
[M+Na-2H]- 302.163866 174.5
[M]+ 281.18865142 172.2
[M]- 281.18974858 172.2
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

No patent data available for this compound.