CID 53659

Dl-n-(p-(3,3-dimethyltriazeno)benzoyl)alanine ethyl ester

Structural Information

Molecular Formula
C14H20N4O3
SMILES
CCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C14H20N4O3/c1-5-21-14(20)10(2)15-13(19)11-6-8-12(9-7-11)16-17-18(3)4/h6-10H,5H2,1-4H3,(H,15,19)
InChIKey
LBACCVJSWBPECH-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15353 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16081 169.5
[M+Na]+ 315.14275 176.5
[M+NH4]+ 310.18735 174.6
[M+K]+ 331.11669 172.7
[M-H]- 291.14625 171.9
[M+Na-2H]- 313.12820 173.9
[M]+ 292.15298 170.5
[M]- 292.15408 170.5
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.