CID 3053949

70551-70-1

Structural Information

Molecular Formula
C20H23N5O
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NNC4=NC(=CN=N4)C5=CC=CC=C5
InChI
InChI=1S/C20H23N5O/c26-18(20-9-13-6-14(10-20)8-15(7-13)11-20)23-25-19-22-17(12-21-24-19)16-4-2-1-3-5-16/h1-5,12-15H,6-11H2,(H,23,26)(H,22,24,25)
InChIKey
QACCNEISODNCIQ-UHFFFAOYSA-N
Compound name
N'-(5-phenyl-1,2,4-triazin-3-yl)adamantane-1-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.19025 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19753 179.2
[M+Na]+ 372.17947 190.4
[M+NH4]+ 367.22407 190.1
[M+K]+ 388.15341 180.0
[M-H]- 348.18297 180.9
[M+Na-2H]- 370.16492 180.9
[M]+ 349.18970 181.3
[M]- 349.19080 181.3
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