CID 3053960

Brn 0816843

Structural Information

Molecular Formula
C16H13N5O
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N5O/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/h1-11H,(H,19,22)(H,18,20,21)
InChIKey
CZHQJDPRRKSGJZ-UHFFFAOYSA-N
Compound name
N'-(5-phenyl-1,2,4-triazin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.119276 165.3
[M+Na]+ 314.101218 171.5
[M-H]- 290.104724 170.8
[M+NH4]+ 309.145823 174.9
[M+K]+ 330.075158 165.7
[M+H-H2O]+ 274.109260 153.6
[M+HCOO]- 336.110201 187.6
[M+CH3COO]- 350.125851 175.3
[M+Na-2H]- 312.086666 174.6
[M]+ 291.11145142 162.8
[M]- 291.11254858 162.8
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

No patent data available for this compound.