CID 206505

Brn 1032883

Structural Information

Molecular Formula
C19H14ClNO3
SMILES
C1CC2=C(C1)N(C3=CC4=C(C=C23)OCO4)C(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C19H14ClNO3/c20-12-6-4-11(5-7-12)19(22)21-15-3-1-2-13(15)14-8-17-18(9-16(14)21)24-10-23-17/h4-9H,1-3,10H2
InChIKey
AJNSKOVADNCXJT-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.06622 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07350 172.2
[M+Na]+ 362.05544 187.2
[M+NH4]+ 357.10004 182.1
[M+K]+ 378.02938 185.4
[M-H]- 338.05894 179.0
[M+Na-2H]- 360.04089 176.2
[M]+ 339.06567 176.7
[M]- 339.06677 176.7
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.