CID 174390

Einecs 284-138-9

Structural Information

Molecular Formula
C19H24N5
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=CC=CC=C32)C)C
InChI
InChI=1S/C19H24N5/c1-5-24(6-2)16-13-11-15(12-14-16)20-21-19-17-9-7-8-10-18(17)22(3)23(19)4/h7-14H,5-6H2,1-4H3/q+1
InChIKey
ROYGAMDNLYKWIX-UHFFFAOYSA-N
Compound name
4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

322.2032 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21048 179.4
[M+Na]+ 345.19242 188.1
[M-H]- 321.19592 189.4
[M+NH4]+ 340.23702 195.1
[M+K]+ 361.16636 178.8
[M+H-H2O]+ 305.20046 171.3
[M+HCOO]- 367.20140 207.7
[M+CH3COO]- 381.21705 218.9
[M+Na-2H]- 343.17787 187.4
[M]+ 322.20265 184.5
[M]- 322.20375 184.5
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

patents stripe