CID 71436829

Pyranomammea c

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)CC(C)C)(C)C)O)O
InChI
InChI=1S/C22H28O6/c1-6-7-12-9-16(25)27-21-17(12)19(26)13-10-15(24)22(4,5)28-20(13)18(21)14(23)8-11(2)3/h9,11,15,24,26H,6-8,10H2,1-5H3
InChIKey
IWXVZIMHJKPWIP-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2,2-dimethyl-10-(3-methylbutanoyl)-6-propyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1886 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 192.0
[M+Na]+ 411.17782 200.4
[M-H]- 387.18132 196.4
[M+NH4]+ 406.22242 204.4
[M+K]+ 427.15176 199.3
[M+H-H2O]+ 371.18586 185.5
[M+HCOO]- 433.18680 203.0
[M+CH3COO]- 447.20245 223.7
[M+Na-2H]- 409.16327 192.9
[M]+ 388.18805 198.0
[M]- 388.18915 198.0
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.