CID 3018422

73384-71-1

Structural Information

Molecular Formula
C20H23ClN6O8
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OCCOC)NCCOC
InChI
InChI=1S/C20H23ClN6O8/c1-12(28)23-15-10-17(22-4-5-33-2)19(35-7-6-34-3)11-16(15)24-25-20-14(21)8-13(26(29)30)9-18(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)
InChIKey
DIJWTZBMIPOHKM-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-(2-methoxyethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.1266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.13388 217.4
[M+Na]+ 533.11582 257.5
[M-H]- 509.11932 253.9
[M+NH4]+ 528.16042 252.3
[M+K]+ 549.08976 209.4
[M+H-H2O]+ 493.12386 215.5
[M+HCOO]- 555.12480 261.0
[M+CH3COO]- 569.14045 243.0
[M+Na-2H]- 531.10127 223.0
[M]+ 510.12605 231.0
[M]- 510.12715 231.0
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

No patent data available for this compound.