CID 112581

Dtxsid20886545

Structural Information

Molecular Formula
C23H27BrN6O5
SMILES
CCC(=O)NC1=C(C=C2C(CC(N(C2=C1)CC)(C)C)C)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C23H27BrN6O5/c1-6-21(31)25-17-11-19-15(13(3)12-23(4,5)28(19)7-2)10-18(17)26-27-22-16(24)8-14(29(32)33)9-20(22)30(34)35/h8-11,13H,6-7,12H2,1-5H3,(H,25,31)
InChIKey
VAWZBCGBLAZCHP-UHFFFAOYSA-N
Compound name
N-[6-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.1226 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.12988 218.4
[M+Na]+ 569.11182 223.2
[M-H]- 545.11532 227.6
[M+NH4]+ 564.15642 226.9
[M+K]+ 585.08576 204.9
[M+H-H2O]+ 529.11986 220.3
[M+HCOO]- 591.12080 237.6
[M+CH3COO]- 605.13645 246.0
[M+Na-2H]- 567.09727 224.4
[M]+ 546.12205 236.0
[M]- 546.12315 236.0
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.