CID 51098

70551-90-5

Structural Information

Molecular Formula
C17H15N5O
SMILES
C1=CC=C(C=C1)CC(=O)NNC2=NC(=CN=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N5O/c23-16(11-13-7-3-1-4-8-13)20-22-17-19-15(12-18-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,23)(H,19,21,22)
InChIKey
PVEPTERMNYSGJD-UHFFFAOYSA-N
Compound name
2-phenyl-N'-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13494 169.6
[M+Na]+ 328.11688 175.3
[M-H]- 304.12038 174.9
[M+NH4]+ 323.16148 178.6
[M+K]+ 344.09082 169.3
[M+H-H2O]+ 288.12492 157.7
[M+HCOO]- 350.12586 191.5
[M+CH3COO]- 364.14151 179.1
[M+Na-2H]- 326.10233 178.4
[M]+ 305.12711 167.4
[M]- 305.12821 167.4
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.