CID 386606

Nsc679059

Structural Information

Molecular Formula
C14H17N7O5
SMILES
COC(=O)C1=CC=C(C=C1)OCCN2C(=C(N=N2)C(=O)NN)C(=O)NN
InChI
InChI=1S/C14H17N7O5/c1-25-14(24)8-2-4-9(5-3-8)26-7-6-21-11(13(23)18-16)10(19-20-21)12(22)17-15/h2-5H,6-7,15-16H2,1H3,(H,17,22)(H,18,23)
InChIKey
GDUZKJICZSNUFY-UHFFFAOYSA-N
Compound name
methyl 4-[2-[4,5-bis(hydrazinecarbonyl)triazol-1-yl]ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12912 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13640 178.1
[M+Na]+ 386.11834 182.9
[M-H]- 362.12184 181.3
[M+NH4]+ 381.16294 186.3
[M+K]+ 402.09228 181.7
[M+H-H2O]+ 346.12638 167.6
[M+HCOO]- 408.12732 200.9
[M+CH3COO]- 422.14297 222.9
[M+Na-2H]- 384.10379 179.5
[M]+ 363.12857 178.7
[M]- 363.12967 178.7
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.