CID 21156032

Dtxsid80887952

Structural Information

Molecular Formula
C27H33N7O7
SMILES
CCOCCOCCN1C2=CC(=C(C=C2C(CC1(C)C)C)N=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C27H33N7O7/c1-6-40-9-10-41-8-7-32-24-14-22(29-18(3)35)23(13-21(24)17(2)15-27(32,4)5)30-31-26-19(16-28)11-20(33(36)37)12-25(26)34(38)39/h11-14,17H,6-10,15H2,1-5H3,(H,29,35)
InChIKey
KSRZVKIWHAGOPV-UHFFFAOYSA-N
Compound name
N-[6-[(2-cyano-4,6-dinitrophenyl)diazenyl]-1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.24414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.25142 239.2
[M+Na]+ 590.23336 241.5
[M-H]- 566.23686 243.7
[M+NH4]+ 585.27796 241.6
[M+K]+ 606.20730 231.0
[M+H-H2O]+ 550.24140 229.6
[M+HCOO]- 612.24234 255.7
[M+CH3COO]- 626.25799 260.7
[M+Na-2H]- 588.21881 242.3
[M]+ 567.24359 235.5
[M]- 567.24469 235.5
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.