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 179.2
[M+Na]+ 343.17406 181.8
[M-H]- 319.17756 186.2
[M+NH4]+ 338.21866 193.8
[M+K]+ 359.14800 183.6
[M+H-H2O]+ 303.18210 170.0
[M+HCOO]- 365.18304 206.1
[M+CH3COO]- 379.19869 227.3
[M+Na-2H]- 341.15951 179.5
[M]+ 320.18429 183.3
[M]- 320.18539 183.3
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.