CID 3061297

Brn 4517972

Structural Information

Molecular Formula
C15H12ClN3O2
SMILES
C1C(=NC2=CC=CC=C2O1)NNC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3O2/c16-11-7-5-10(6-8-11)15(20)19-18-14-9-21-13-4-2-1-3-12(13)17-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
NWORBFQHDIUWBP-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)-4-chlorobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0618 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06908 167.0
[M+Na]+ 324.05102 181.9
[M+NH4]+ 319.09562 175.5
[M+K]+ 340.02496 174.0
[M-H]- 300.05452 173.8
[M+Na-2H]- 322.03647 175.6
[M]+ 301.06125 171.3
[M]- 301.06235 171.3
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.