CID 4319062

100796-79-0

Structural Information

Molecular Formula
C13H14N4O4
SMILES
CCOC(=O)C(=NN1C2=CC=CC=C2N=N1)C(=O)OCC
InChI
InChI=1S/C13H14N4O4/c1-3-20-12(18)11(13(19)21-4-2)15-17-10-8-6-5-7-9(10)14-16-17/h5-8H,3-4H2,1-2H3
InChIKey
HQLKNISWSLQKRF-UHFFFAOYSA-N
Compound name
diethyl 2-(benzotriazol-1-ylimino)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.1015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 163.1
[M+Na]+ 313.09072 173.1
[M+NH4]+ 308.13532 167.4
[M+K]+ 329.06466 171.3
[M-H]- 289.09422 161.6
[M+Na-2H]- 311.07617 166.9
[M]+ 290.10095 163.5
[M]- 290.10205 163.5
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

patents stripe