CID 3053069

69467-34-1

Structural Information

Molecular Formula
C16H19N5O
SMILES
C1CCC(CC1)C(=O)NNC2=NC(=CN=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N5O/c22-15(13-9-5-2-6-10-13)19-21-16-18-14(11-17-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,22)(H,18,20,21)
InChIKey
AMILWVRTDABTCB-UHFFFAOYSA-N
Compound name
N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

297.15897 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.166246 168.2
[M+Na]+ 320.148188 171.3
[M-H]- 296.151694 172.6
[M+NH4]+ 315.192793 177.4
[M+K]+ 336.122128 166.4
[M+H-H2O]+ 280.156230 156.3
[M+HCOO]- 342.157171 186.3
[M+CH3COO]- 356.172821 176.6
[M+Na-2H]- 318.133636 174.4
[M]+ 297.15842142 161.6
[M]- 297.15951858 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe