CID 92668

57119-69-4

Structural Information

Molecular Formula
C22H20ClN5O7
SMILES
CC(=O)OCCOCCNC1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C22H20ClN5O7/c1-14(29)35-11-10-34-9-8-24-19-6-7-20(17-5-3-2-4-16(17)19)25-26-22-18(23)12-15(27(30)31)13-21(22)28(32)33/h2-7,12-13,24H,8-11H2,1H3
InChIKey
SJUPSXRPCVVQJP-UHFFFAOYSA-N
Compound name
2-[2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.10513 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11241 216.0
[M+Na]+ 524.09435 217.3
[M-H]- 500.09785 224.2
[M+NH4]+ 519.13895 221.7
[M+K]+ 540.06829 206.8
[M+H-H2O]+ 484.10239 214.0
[M+HCOO]- 546.10333 238.4
[M+CH3COO]- 560.11898 238.7
[M+Na-2H]- 522.07980 223.4
[M]+ 501.10458 220.4
[M]- 501.10568 220.4
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

No patent data available for this compound.