CID 386605

Nsc679058

Structural Information

Molecular Formula
C11H13N9O3
SMILES
C1=CC(=CC=C1C(=O)NN)N2C(=C(N=N2)C(=O)NN)C(=O)NN
InChI
InChI=1S/C11H13N9O3/c12-15-9(21)5-1-3-6(4-2-5)20-8(11(23)17-14)7(18-19-20)10(22)16-13/h1-4H,12-14H2,(H,15,21)(H,16,22)(H,17,23)
InChIKey
UHROECAAMYMOAW-UHFFFAOYSA-N
Compound name
1-[4-(hydrazinecarbonyl)phenyl]triazole-4,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11414 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12142 165.8
[M+Na]+ 342.10336 170.8
[M-H]- 318.10686 169.3
[M+NH4]+ 337.14796 175.1
[M+K]+ 358.07730 169.1
[M+H-H2O]+ 302.11140 155.4
[M+HCOO]- 364.11234 190.6
[M+CH3COO]- 378.12799 220.5
[M+Na-2H]- 340.08881 168.8
[M]+ 319.11359 160.5
[M]- 319.11469 160.5
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

No patent data available for this compound.