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 166.4
[M+Na]+ 324.05102 174.1
[M-H]- 300.05452 173.1
[M+NH4]+ 319.09562 179.9
[M+K]+ 340.02496 169.7
[M+H-H2O]+ 284.05906 157.9
[M+HCOO]- 346.06000 183.7
[M+CH3COO]- 360.07565 177.5
[M+Na-2H]- 322.03647 174.6
[M]+ 301.06125 167.4
[M]- 301.06235 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.