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]+ 350.197526 170.7
[M+Na]+ 372.179468 171.2
[M-H]- 348.182974 167.5
[M+NH4]+ 367.224073 185.1
[M+K]+ 388.153408 166.4
[M+H-H2O]+ 332.187510 158.0
[M+HCOO]- 394.188451 176.0
[M+CH3COO]- 408.204101 176.0
[M+Na-2H]- 370.164916 183.4
[M]+ 349.18970142 168.7
[M]- 349.19079858 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