CID 11243693

33173-55-6

Structural Information

Molecular Formula
C14H18N4O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N=[N+]=[N-])C(=O)O
InChI
InChI=1S/C14H18N4O4/c1-14(2,3)22-13(21)16-11(12(19)20)8-9-4-6-10(7-5-9)17-18-15/h4-7,11H,8H2,1-3H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKey
PZWGGRIVPTXYGU-NSHDSACASA-N
Compound name
(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

306.1328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14008 168.2
[M+Na]+ 329.12202 175.9
[M+NH4]+ 324.16662 172.7
[M+K]+ 345.09596 175.0
[M-H]- 305.12552 170.2
[M+Na-2H]- 327.10747 171.9
[M]+ 306.13225 169.2
[M]- 306.13335 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe