CID 3015172

24112-48-9

Structural Information

Molecular Formula
C18H20N6O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C18H20N6O5/c1-4-22(5-2)13-6-8-15(17(10-13)19-12(3)25)20-21-16-9-7-14(23(26)27)11-18(16)24(28)29/h6-11H,4-5H2,1-3H3,(H,19,25)
InChIKey
WCUXAQAVBINHFZ-UHFFFAOYSA-N
Compound name
N-[5-(diethylamino)-2-[(2,4-dinitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

400.1495 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15678 204.4
[M+Na]+ 423.13872 209.4
[M+NH4]+ 418.18332 212.2
[M+K]+ 439.11266 216.7
[M-H]- 399.14222 200.3
[M+Na-2H]- 421.12417 199.2
[M]+ 400.14895 205.8
[M]- 400.15005 205.8
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