CID 53660

Nsc651353

Structural Information

Molecular Formula
C17H24N4O5
SMILES
CCOC(=O)CC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C17H24N4O5/c1-5-25-15(22)11-14(17(24)26-6-2)18-16(23)12-7-9-13(10-8-12)19-20-21(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,23)
InChIKey
SLCZGQFZBZOEBG-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17468 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18196 187.0
[M+Na]+ 387.16390 189.2
[M-H]- 363.16740 193.8
[M+NH4]+ 382.20850 199.6
[M+K]+ 403.13784 191.5
[M+H-H2O]+ 347.17194 177.2
[M+HCOO]- 409.17288 214.2
[M+CH3COO]- 423.18853 233.0
[M+Na-2H]- 385.14935 187.3
[M]+ 364.17413 193.5
[M]- 364.17523 193.5
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.