CID 111917

Einecs 273-359-6

Structural Information

Molecular Formula
C19H21ClN6O7
SMILES
CCNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OCCOC
InChI
InChI=1S/C19H21ClN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)
InChIKey
MGMDGPHTYZIJCK-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

480.11603 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.12331 213.3
[M+Na]+ 503.10525 217.8
[M+NH4]+ 498.14985 220.8
[M+K]+ 519.07919 224.9
[M-H]- 479.10875 209.4
[M+Na-2H]- 501.09070 207.6
[M]+ 480.11548 214.6
[M]- 480.11658 214.6
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