CID 71300479

Einecs 304-036-0

Structural Information

Molecular Formula
C17H24N5O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N=C(C=C2)OC)C)C
InChI
InChI=1S/C17H24N5O/c1-6-22(7-2)14-8-9-15(13(3)12-14)18-19-16-10-11-17(23-5)20-21(16)4/h8-12H,6-7H2,1-5H3/q+1
InChIKey
INEBZINYOCWLQZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(6-methoxy-2-methylpyridazin-2-ium-3-yl)diazenyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1981 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20538 177.6
[M+Na]+ 337.18732 184.9
[M-H]- 313.19082 186.2
[M+NH4]+ 332.23192 190.7
[M+K]+ 353.16126 177.3
[M+H-H2O]+ 297.19536 169.1
[M+HCOO]- 359.19630 204.7
[M+CH3COO]- 373.21195 217.9
[M+Na-2H]- 335.17277 185.2
[M]+ 314.19755 182.3
[M]- 314.19865 182.3
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

No patent data available for this compound.