CID 29569

Dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide

Structural Information

Molecular Formula
C16H14ClN3O3
SMILES
CC(=O)NNC(=O)N1CC2=C(C=CC(=C2)Cl)OC3=CC=CC=C31
InChI
InChI=1S/C16H14ClN3O3/c1-10(21)18-19-16(22)20-9-11-8-12(17)6-7-14(11)23-15-5-3-2-4-13(15)20/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKey
UETSVHKFTALXNP-UHFFFAOYSA-N
Compound name
N'-acetyl-8-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

94
References

0
Patents

331.07236 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07964 173.6
[M+Na]+ 354.06158 184.4
[M+NH4]+ 349.10618 180.1
[M+K]+ 370.03552 179.6
[M-H]- 330.06508 177.1
[M+Na-2H]- 352.04703 177.7
[M]+ 331.07181 176.3
[M]- 331.07291 176.3
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.