CID 113256

63467-25-4

Structural Information

Molecular Formula
C22H23BrN6O5
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Br)NC(=O)C
InChI
InChI=1S/C22H23BrN6O5/c1-3-27(10-11-28-21(31)8-9-22(28)32)15-4-7-19(20(13-15)24-14(2)30)26-25-18-6-5-16(29(33)34)12-17(18)23/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,30)
InChIKey
WIIYVWHFGTUCNS-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4-nitrophenyl)diazenyl]-5-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0913 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.09858 213.7
[M+Na]+ 553.08052 218.2
[M-H]- 529.08402 227.1
[M+NH4]+ 548.12512 222.5
[M+K]+ 569.05446 204.0
[M+H-H2O]+ 513.08856 210.7
[M+HCOO]- 575.08950 238.0
[M+CH3COO]- 589.10515 249.4
[M+Na-2H]- 551.06597 216.0
[M]+ 530.09075 232.6
[M]- 530.09185 232.6
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

No patent data available for this compound.