CID 121302

Dicarvacrotide

Structural Information

Molecular Formula
C22H24O4
SMILES
CC1=C2C(=C(C=C1)C(C)C)C(=O)OC3=C(C=CC(=C3C(=O)O2)C(C)C)C
InChI
InChI=1S/C22H24O4/c1-11(2)15-9-7-13(5)19-17(15)21(23)26-20-14(6)8-10-16(12(3)4)18(20)22(24)25-19/h7-12H,1-6H3
InChIKey
XIFWIJMTFLIRMZ-UHFFFAOYSA-N
Compound name
4,10-dimethyl-1,7-di(propan-2-yl)benzo[c][1,5]benzodioxocine-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16745 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 182.5
[M+Na]+ 375.15667 188.3
[M-H]- 351.16017 185.9
[M+NH4]+ 370.20127 188.5
[M+K]+ 391.13061 188.3
[M+H-H2O]+ 335.16471 178.0
[M+HCOO]- 397.16565 188.7
[M+CH3COO]- 411.18130 239.3
[M+Na-2H]- 373.14212 179.4
[M]+ 352.16690 184.7
[M]- 352.16800 184.7
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.