CID 474679

[2-methoxy-5-[(2r)-4-oxo-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-2-yl]phenyl] acetate

Structural Information

Molecular Formula
C20H17NO5
SMILES
CC(=O)OC1=C(C=CC(=C1)[C@H]2CC23C(=O)OC(=N3)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H17NO5/c1-12(22)25-17-10-14(8-9-16(17)24-2)15-11-20(15)19(23)26-18(21-20)13-6-4-3-5-7-13/h3-10,15H,11H2,1-2H3/t15-,20?/m1/s1
InChIKey
CVDFQRLDLCTZHL-IWPPFLRJSA-N
Compound name
[2-methoxy-5-[(2R)-7-oxo-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-2-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 180.9
[M+Na]+ 374.09992 191.8
[M-H]- 350.10342 193.4
[M+NH4]+ 369.14452 190.6
[M+K]+ 390.07386 189.3
[M+H-H2O]+ 334.10796 173.2
[M+HCOO]- 396.10890 201.7
[M+CH3COO]- 410.12455 213.0
[M+Na-2H]- 372.08537 183.2
[M]+ 351.11015 188.6
[M]- 351.11125 188.6
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.