CID 454775

Ethyloxime 25

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CCONC1=C2C=C(C=CC2=NC(=O)C3=CC=CC=C31)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-2-21-19-15-11-5-3-4-6-12(11)16(20)18-14-8-7-10(17)9-13(14)15/h3-9,19H,2H2,1H3
InChIKey
QOEAZMTVVKURRS-UHFFFAOYSA-N
Compound name
2-chloro-11-(ethoxyamino)benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.06656 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 164.3
[M+Na]+ 323.05578 175.9
[M-H]- 299.05928 170.5
[M+NH4]+ 318.10038 180.9
[M+K]+ 339.02972 174.6
[M+H-H2O]+ 283.06382 158.0
[M+HCOO]- 345.06476 183.1
[M+CH3COO]- 359.08041 176.9
[M+Na-2H]- 321.04123 172.8
[M]+ 300.06601 168.1
[M]- 300.06711 168.1
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

patents stripe