CID 3075231

172984-93-9

Structural Information

Molecular Formula
C12H18N6O2
SMILES
C1C(=O)NN=C2C13CN4CC2(CN(C3)C4)CC(=O)NN
InChI
InChI=1S/C12H18N6O2/c13-14-8(19)1-11-3-17-5-12(6-18(4-11)7-17)2-9(20)15-16-10(11)12/h1-7,13H2,(H,14,19)(H,15,20)
InChIKey
PASODELBULKQPZ-UHFFFAOYSA-N
Compound name
2-(3-oxo-4,5,9,11-tetrazatetracyclo[7.3.1.17,11.01,6]tetradec-5-en-7-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1491 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15638 159.0
[M+Na]+ 301.13832 161.8
[M-H]- 277.14182 149.8
[M+NH4]+ 296.18292 176.9
[M+K]+ 317.11226 158.5
[M+H-H2O]+ 261.14636 149.1
[M+HCOO]- 323.14730 160.5
[M+CH3COO]- 337.16295 164.6
[M+Na-2H]- 299.12377 171.1
[M]+ 278.14855 155.7
[M]- 278.14965 155.7
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.