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]+ 340.190716 179.8
[M+Na]+ 362.172658 184.6
[M-H]- 338.176164 188.8
[M+NH4]+ 357.217263 195.6
[M+K]+ 378.146598 182.6
[M+H-H2O]+ 322.180700 175.8
[M+HCOO]- 384.181641 192.6
[M+CH3COO]- 398.197291 189.3
[M+Na-2H]- 360.158106 177.1
[M]+ 339.18289142 175.6
[M]- 339.18398858 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.