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
1
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]+ 344.13533 178.5
[M+Na]+ 366.11727 181.5
[M-H]- 342.12077 188.3
[M+NH4]+ 361.16187 190.1
[M+K]+ 382.09121 172.5
[M+H-H2O]+ 326.12531 177.0
[M+HCOO]- 388.12625 209.1
[M+CH3COO]- 402.14190 216.2
[M+Na-2H]- 364.10272 186.7
[M]+ 343.12750 178.1
[M]- 343.12860 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