CID 104006

51897-40-6

Structural Information

Molecular Formula
C23H23N7O5
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C23H23N7O5/c1-3-28(10-11-29-22(32)8-9-23(29)33)17-4-7-20(21(13-17)25-15(2)31)27-26-19-6-5-18(30(34)35)12-16(19)14-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,31)
InChIKey
OZYAYPAGMAEVBO-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-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

477.17606 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18334 214.1
[M+Na]+ 500.16528 222.0
[M+NH4]+ 495.20988 214.1
[M+K]+ 516.13922 217.5
[M-H]- 476.16878 212.5
[M+Na-2H]- 498.15073 215.6
[M]+ 477.17551 213.3
[M]- 477.17661 213.3
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.