CID 206510

Brn 1020020

Structural Information

Molecular Formula
C19H21NO3
SMILES
C1CCC(C1)CC(=O)N2C3=C(CCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C19H21NO3/c21-19(8-12-4-1-2-5-12)20-15-7-3-6-13(15)14-9-17-18(10-16(14)20)23-11-22-17/h9-10,12H,1-8,11H2
InChIKey
GCNAZIAWJHFARA-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 172.3
[M+Na]+ 334.14135 179.6
[M-H]- 310.14485 182.3
[M+NH4]+ 329.18595 192.7
[M+K]+ 350.11529 178.0
[M+H-H2O]+ 294.14939 169.1
[M+HCOO]- 356.15033 189.7
[M+CH3COO]- 370.16598 184.3
[M+Na-2H]- 332.12680 169.2
[M]+ 311.15158 174.4
[M]- 311.15268 174.4
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.