CID 16205994

Einecs 304-651-4

Structural Information

Molecular Formula
C22H28N5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C22H28N5/c1-6-27(7-2)19-13-14-20(17(3)15-19)23-24-22-16-21(25(4)26(22)5)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3/q+1
InChIKey
BPAUFDYZKGZNCG-UHFFFAOYSA-N
Compound name
4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.23447 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24175 193.1
[M+Na]+ 385.22369 200.2
[M-H]- 361.22719 205.0
[M+NH4]+ 380.26829 205.9
[M+K]+ 401.19763 190.4
[M+H-H2O]+ 345.23173 183.8
[M+HCOO]- 407.23267 220.4
[M+CH3COO]- 421.24832 227.4
[M+Na-2H]- 383.20914 197.1
[M]+ 362.23392 196.8
[M]- 362.23502 196.8
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.