CID 59430

102516-73-4

Structural Information

Molecular Formula
C14H20N4O3
SMILES
CCOC(=O)CCNC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C14H20N4O3/c1-4-21-13(19)9-10-15-14(20)11-5-7-12(8-6-11)16-17-18(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,20)
InChIKey
VFJPPDDTQXMZEK-UHFFFAOYSA-N
Compound name
ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.160806 168.8
[M+Na]+ 315.142748 172.7
[M-H]- 291.146254 176.0
[M+NH4]+ 310.187353 184.7
[M+K]+ 331.116688 173.8
[M+H-H2O]+ 275.150790 159.6
[M+HCOO]- 337.151731 198.4
[M+CH3COO]- 351.167381 219.5
[M+Na-2H]- 313.128196 172.6
[M]+ 292.15298142 173.5
[M]- 292.15407858 173.5
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.