CID 5896969

Nsc676574

Structural Information

Molecular Formula
C20H25NO5
SMILES
CCCC1=CC(=O)OC2=C\3C(=CC(=C12)OC(C)C)OC(C(/C3=N/O)C)C
InChI
InChI=1S/C20H25NO5/c1-6-7-13-8-16(22)26-20-17(13)14(24-10(2)3)9-15-18(20)19(21-23)11(4)12(5)25-15/h8-12,23H,6-7H2,1-5H3/b21-19-
InChIKey
GVIKDOSRBAFQOG-VZCXRCSSSA-N
Compound name
(10Z)-10-hydroxyimino-8,9-dimethyl-5-propan-2-yloxy-4-propyl-8,9-dihydropyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18056 186.7
[M+Na]+ 382.16250 195.5
[M-H]- 358.16600 193.8
[M+NH4]+ 377.20710 199.5
[M+K]+ 398.13644 194.6
[M+H-H2O]+ 342.17054 178.9
[M+HCOO]- 404.17148 203.3
[M+CH3COO]- 418.18713 223.9
[M+Na-2H]- 380.14795 189.3
[M]+ 359.17273 193.4
[M]- 359.17383 193.4
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.