CID 386607

Nsc679060

Structural Information

Molecular Formula
C12H15N7O2
SMILES
C1=CC=C(C=C1)CCN2C(=C(N=N2)C(=O)NN)C(=O)NN
InChI
InChI=1S/C12H15N7O2/c13-15-11(20)9-10(12(21)16-14)19(18-17-9)7-6-8-4-2-1-3-5-8/h1-5H,6-7,13-14H2,(H,15,20)(H,16,21)
InChIKey
ACILKGLZDJBEMO-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)triazole-4,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12872 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13600 162.6
[M+Na]+ 312.11794 168.2
[M-H]- 288.12144 165.5
[M+NH4]+ 307.16254 173.9
[M+K]+ 328.09188 165.1
[M+H-H2O]+ 272.12598 152.3
[M+HCOO]- 334.12692 186.3
[M+CH3COO]- 348.14257 209.1
[M+Na-2H]- 310.10339 166.2
[M]+ 289.12817 159.4
[M]- 289.12927 159.4
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.