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 172.6
[M+Na]+ 354.06158 180.6
[M-H]- 330.06508 178.7
[M+NH4]+ 349.10618 186.0
[M+K]+ 370.03552 182.0
[M+H-H2O]+ 314.06962 165.7
[M+HCOO]- 376.07056 187.5
[M+CH3COO]- 390.08621 183.2
[M+Na-2H]- 352.04703 179.1
[M]+ 331.07181 172.8
[M]- 331.07291 172.8
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.