CID 3018824

79295-99-1

Structural Information

Molecular Formula
C19H21ClN6O6
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC
InChI
InChI=1S/C19H21ClN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)
InChIKey
LJIKWZXCXJFCCB-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

464.12112 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.12840 210.2
[M+Na]+ 487.11034 212.8
[M-H]- 463.11384 219.6
[M+NH4]+ 482.15494 247.9
[M+K]+ 503.08428 203.7
[M+H-H2O]+ 447.11838 209.1
[M+HCOO]- 509.11932 254.3
[M+CH3COO]- 523.13497 239.1
[M+Na-2H]- 485.09579 214.4
[M]+ 464.12057 214.2
[M]- 464.12167 214.2
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