CID 98129

Nsc 80343

Structural Information

Molecular Formula
C18H26N4O5
SMILES
CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C18H26N4O5/c1-5-26-16(23)12-11-15(18(25)27-6-2)19-17(24)13-7-9-14(10-8-13)20-21-22(3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,24)
InChIKey
IYVTUPFXQIVMAI-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1903 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19758 191.6
[M+Na]+ 401.17952 193.3
[M-H]- 377.18302 198.2
[M+NH4]+ 396.22412 203.6
[M+K]+ 417.15346 195.4
[M+H-H2O]+ 361.18756 181.6
[M+HCOO]- 423.18850 218.4
[M+CH3COO]- 437.20415 236.0
[M+Na-2H]- 399.16497 191.4
[M]+ 378.18975 198.4
[M]- 378.19085 198.4
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.