CID 90383

Einecs 246-058-2

Structural Information

Molecular Formula
C19H19N7O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)
InChIKey
NHBNDXGKNAEBAI-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

425.14478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15206 209.8
[M+Na]+ 448.13400 213.1
[M-H]- 424.13750 216.7
[M+NH4]+ 443.17860 216.0
[M+K]+ 464.10794 204.5
[M+H-H2O]+ 408.14204 200.3
[M+HCOO]- 470.14298 233.7
[M+CH3COO]- 484.15863 240.2
[M+Na-2H]- 446.11945 212.7
[M]+ 425.14423 203.9
[M]- 425.14533 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe