CID 39641

Brn 1025629

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1CCC(C1)CC(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C21H25NO3/c23-18(9-13-5-1-2-6-13)14-7-3-4-8-16-21(14)15-10-19-20(25-12-24-19)11-17(15)22-16/h10-11,13-14,22H,1-9,12H2
InChIKey
QCQAYUUUWYDVPZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 179.8
[M+Na]+ 362.17266 184.6
[M-H]- 338.17616 188.8
[M+NH4]+ 357.21726 195.6
[M+K]+ 378.14660 182.6
[M+H-H2O]+ 322.18070 175.8
[M+HCOO]- 384.18164 192.6
[M+CH3COO]- 398.19729 189.3
[M+Na-2H]- 360.15811 177.1
[M]+ 339.18289 175.6
[M]- 339.18399 175.6
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.