CID 103323

Einecs 265-623-4

Structural Information

Molecular Formula
C21H22ClN5O4
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C
InChI
InChI=1S/C21H22ClN5O4/c1-3-25(10-11-26-20(28)8-9-21(26)29)15-4-6-18(14(2)12-15)23-24-19-7-5-16(27(30)31)13-17(19)22/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey
KHSSMHODUXTBDV-UHFFFAOYSA-N
Compound name
1-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.13602 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14330 208.3
[M+Na]+ 466.12524 213.1
[M-H]- 442.12874 220.2
[M+NH4]+ 461.16984 218.4
[M+K]+ 482.09918 205.1
[M+H-H2O]+ 426.13328 202.2
[M+HCOO]- 488.13422 231.3
[M+CH3COO]- 502.14987 237.9
[M+Na-2H]- 464.11069 209.4
[M]+ 443.13547 211.9
[M]- 443.13657 211.9
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.