CID 155390176

2309449-79-2

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CCOC(=O)C(CC1=NC=NN1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H18N4O4/c1-2-22-14(20)12(8-13-16-10-17-19-13)18-15(21)23-9-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,18,21)(H,16,17,19)
InChIKey
SWERMZZSYZQJCU-UHFFFAOYSA-N
Compound name
ethyl 2-(phenylmethoxycarbonylamino)-3-(1H-1,2,4-triazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

318.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 173.1
[M+Na]+ 341.12202 181.2
[M+NH4]+ 336.16662 176.5
[M+K]+ 357.09596 179.8
[M-H]- 317.12552 172.2
[M+Na-2H]- 339.10747 177.4
[M]+ 318.13225 173.3
[M]- 318.13335 173.3
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

patents stripe