CID 3059889

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

Structural Information

Molecular Formula
C16H24N4O3
SMILES
CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C16H24N4O3/c1-6-23-16(22)14(11(2)3)17-15(21)12-7-9-13(10-8-12)18-19-20(4)5/h7-11,14H,6H2,1-5H3,(H,17,21)/t14-/m0/s1
InChIKey
XQUIYEIYSSJMAB-AWEZNQCLSA-N
Compound name
ethyl (2S)-2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 177.9
[M+Na]+ 343.17406 184.2
[M+NH4]+ 338.21866 182.6
[M+K]+ 359.14800 180.8
[M-H]- 319.17756 180.1
[M+Na-2H]- 341.15951 181.6
[M]+ 320.18429 178.8
[M]- 320.18539 178.8
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.