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 170.7
[M+Na]+ 372.17947 171.2
[M-H]- 348.18297 167.5
[M+NH4]+ 367.22407 185.1
[M+K]+ 388.15341 166.4
[M+H-H2O]+ 332.18751 158.0
[M+HCOO]- 394.18845 176.0
[M+CH3COO]- 408.20410 176.0
[M+Na-2H]- 370.16492 183.4
[M]+ 349.18970 168.7
[M]- 349.19080 168.7
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

patents stripe