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 191.2
[M+Na]+ 423.13872 193.0
[M-H]- 399.14222 200.9
[M+NH4]+ 418.18332 200.1
[M+K]+ 439.11266 184.3
[M+H-H2O]+ 383.14676 189.0
[M+HCOO]- 445.14770 221.2
[M+CH3COO]- 459.16335 228.6
[M+Na-2H]- 421.12417 197.9
[M]+ 400.14895 190.7
[M]- 400.15005 190.7
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

patents stripe