CID 80767

6373-96-2

Structural Information

Molecular Formula
C16H17N5O4
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H17N5O4/c1-3-19(4-2)13-7-5-12(6-8-13)17-18-15-10-9-14(20(22)23)11-16(15)21(24)25/h5-11H,3-4H2,1-2H3
InChIKey
MZKPZDRFDHZNND-UHFFFAOYSA-N
Compound name
4-[(2,4-dinitrophenyl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

343.12805 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.135326 178.5
[M+Na]+ 366.117268 181.5
[M-H]- 342.120774 188.3
[M+NH4]+ 361.161873 190.1
[M+K]+ 382.091208 172.5
[M+H-H2O]+ 326.125310 177.0
[M+HCOO]- 388.126251 209.1
[M+CH3COO]- 402.141901 216.2
[M+Na-2H]- 364.102716 186.7
[M]+ 343.12750142 178.1
[M]- 343.12859858 178.1
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