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]+ 292.11928 165.3
[M+Na]+ 314.10122 171.5
[M-H]- 290.10472 170.8
[M+NH4]+ 309.14582 174.9
[M+K]+ 330.07516 165.7
[M+H-H2O]+ 274.10926 153.6
[M+HCOO]- 336.11020 187.6
[M+CH3COO]- 350.12585 175.3
[M+Na-2H]- 312.08667 174.6
[M]+ 291.11145 162.8
[M]- 291.11255 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.