CID 21156033

Dtxsid40887953

Structural Information

Molecular Formula
C26H33BrN6O7
SMILES
CCOCCOCCN1C2=CC(=C(C=C2C(CC1(C)C)C)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C26H33BrN6O7/c1-6-39-9-10-40-8-7-31-23-14-21(28-17(3)34)22(13-19(23)16(2)15-26(31,4)5)29-30-25-20(27)11-18(32(35)36)12-24(25)33(37)38/h11-14,16H,6-10,15H2,1-5H3,(H,28,34)
InChIKey
DZLSCJIHAREOKL-UHFFFAOYSA-N
Compound name
N-[6-[(2-bromo-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

1
Patents

620.1594 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.16668 224.3
[M+Na]+ 643.14862 228.1
[M+NH4]+ 638.19322 230.7
[M+K]+ 659.12256 233.5
[M-H]- 619.15212 221.4
[M+Na-2H]- 641.13407 218.5
[M]+ 620.15885 225.6
[M]- 620.15995 225.6
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