CID 122441

Einecs 249-750-2

Structural Information

Molecular Formula
C22H24N6O5
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC(=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C22H24N6O5/c1-3-26(12-13-27-21(30)10-11-22(27)31)18-8-9-19(20(14-18)23-15(2)29)25-24-16-4-6-17(7-5-16)28(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,23,29)
InChIKey
CZHGDRKVHVTOQZ-UHFFFAOYSA-N
Compound name
N-[5-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]-2-[(4-nitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.18082 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18810 204.6
[M+Na]+ 475.17004 206.3
[M-H]- 451.17354 216.5
[M+NH4]+ 470.21464 212.6
[M+K]+ 491.14398 200.5
[M+H-H2O]+ 435.17808 197.2
[M+HCOO]- 497.17902 232.3
[M+CH3COO]- 511.19467 242.7
[M+Na-2H]- 473.15549 207.3
[M]+ 452.18027 205.0
[M]- 452.18137 205.0
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.