CID 78356

4613-05-2

Structural Information

Molecular Formula
C19H24N7O2
SMILES
CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C19H24N7O2/c1-4-24(11-12-26(2,3)21)17-7-5-16(6-8-17)22-23-19-10-9-18(25(27)28)13-15(19)14-20/h5-10,13H,4,11-12,21H2,1-3H3/q+1
InChIKey
OPOQARDAGAQIBJ-UHFFFAOYSA-N
Compound name
amino-[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19916 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20644 199.3
[M+Na]+ 405.18838 203.2
[M-H]- 381.19188 207.2
[M+NH4]+ 400.23298 208.3
[M+K]+ 421.16232 192.8
[M+H-H2O]+ 365.19642 188.6
[M+HCOO]- 427.19736 223.7
[M+CH3COO]- 441.21301 236.5
[M+Na-2H]- 403.17383 206.0
[M]+ 382.19861 192.7
[M]- 382.19971 192.7
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.