CID 206506

Brn 1033151

Structural Information

Molecular Formula
C19H14ClNO3
SMILES
C1CC2=C(C1)N(C3=CC4=C(C=C23)OCO4)C(=O)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C19H14ClNO3/c20-12-4-1-3-11(7-12)19(22)21-15-6-2-5-13(15)14-8-17-18(9-16(14)21)24-10-23-17/h1,3-4,7-9H,2,5-6,10H2
InChIKey
SPBTWFQJEVHZCW-UHFFFAOYSA-N
Compound name
(3-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 178.4
[M+Na]+ 362.05544 189.8
[M-H]- 338.05894 189.1
[M+NH4]+ 357.10004 197.3
[M+K]+ 378.02938 185.9
[M+H-H2O]+ 322.06348 173.9
[M+HCOO]- 384.06442 193.1
[M+CH3COO]- 398.08007 191.1
[M+Na-2H]- 360.04089 178.4
[M]+ 339.06567 185.0
[M]- 339.06677 185.0
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.