CID 469819

Spirodihydrobenzofuranlactam v

Structural Information

Molecular Formula
C23H29NO5
SMILES
CC1CCC2C(C(CCC2(C13CC4=C(O3)C=C5C(=C4O)C(=O)NC5=O)C)O)(C)C
InChI
InChI=1S/C23H29NO5/c1-11-5-6-15-21(2,3)16(25)7-8-22(15,4)23(11)10-13-14(29-23)9-12-17(18(13)26)20(28)24-19(12)27/h9,11,15-16,25-26H,5-8,10H2,1-4H3,(H,24,27,28)
InChIKey
MOKUWDUXHMMMFK-UHFFFAOYSA-N
Compound name
3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[3,2-f]isoindole]-5',7'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.20456 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21184 194.9
[M+Na]+ 422.19378 204.3
[M-H]- 398.19728 198.8
[M+NH4]+ 417.23838 214.9
[M+K]+ 438.16772 198.3
[M+H-H2O]+ 382.20182 190.2
[M+HCOO]- 444.20276 200.6
[M+CH3COO]- 458.21841 203.5
[M+Na-2H]- 420.17923 193.5
[M]+ 399.20401 192.1
[M]- 399.20511 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.