CID 90047

23258-43-7

Structural Information

Molecular Formula
C22H21N6O2
SMILES
CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
InChI
InChI=1S/C22H21N6O2/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23/h3-13,16H,2,14-15H2,1H3/q+1
InChIKey
QFONXEZFHGENSC-UHFFFAOYSA-N
Compound name
2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

401.1726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17988 208.0
[M+Na]+ 424.16182 212.6
[M-H]- 400.16532 215.7
[M+NH4]+ 419.20642 214.3
[M+K]+ 440.13576 198.6
[M+H-H2O]+ 384.16986 195.0
[M+HCOO]- 446.17080 230.2
[M+CH3COO]- 460.18645 232.8
[M+Na-2H]- 422.14727 214.1
[M]+ 401.17205 201.5
[M]- 401.17315 201.5
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.