CID 3017688

66557-45-7

Structural Information

Molecular Formula
C18H19ClN6O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C18H19ClN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)
InChIKey
YREBUQFUGONNSP-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

434.11053 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11781 208.0
[M+Na]+ 457.09975 212.8
[M+NH4]+ 452.14435 215.7
[M+K]+ 473.07369 219.9
[M-H]- 433.10325 203.9
[M+Na-2H]- 455.08520 202.5
[M]+ 434.10998 209.4
[M]- 434.11108 209.4
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