CID 174245

81711-69-5

Structural Information

Molecular Formula
C18H20ClN5O6
SMILES
CCN(CC)C1=C(C=C(C(=C1)OC)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC
InChI
InChI=1S/C18H20ClN5O6/c1-5-22(6-2)14-10-16(29-3)13(9-17(14)30-4)20-21-18-12(19)7-11(23(25)26)8-15(18)24(27)28/h7-10H,5-6H2,1-4H3
InChIKey
KEMVMBHOGQWFSN-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

437.1102 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11748 204.6
[M+Na]+ 460.09942 208.6
[M-H]- 436.10292 214.2
[M+NH4]+ 455.14402 213.5
[M+K]+ 476.07336 199.4
[M+H-H2O]+ 420.10746 203.7
[M+HCOO]- 482.10840 229.9
[M+CH3COO]- 496.12405 232.7
[M+Na-2H]- 458.08487 209.6
[M]+ 437.10965 210.4
[M]- 437.11075 210.4
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