CID 21149430

37216-10-7

Structural Information

Molecular Formula
C20H25N6O2
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H25N6O2/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21/h6-11,14H,5,12-13H2,1-4H3/q+1
InChIKey
NPWCCXQDRMJUDL-UHFFFAOYSA-N
Compound name
2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2039 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21118 201.2
[M+Na]+ 404.19312 205.8
[M-H]- 380.19662 209.7
[M+NH4]+ 399.23772 211.0
[M+K]+ 420.16706 195.0
[M+H-H2O]+ 364.20116 190.7
[M+HCOO]- 426.20210 225.2
[M+CH3COO]- 440.21775 235.6
[M+Na-2H]- 402.17857 207.8
[M]+ 381.20335 196.5
[M]- 381.20445 196.5
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.