CID 123158

Galvanoxyl

Structural Information

Molecular Formula
C29H41O2
SMILES
CC(C)CC1=CC(=CC(=C1[O])CC(C)C)C=C2C=C(C(=O)C(=C2)CC(C)C)CC(C)C
InChI
InChI=1S/C29H41O2/c1-18(2)9-24-14-22(15-25(28(24)30)10-19(3)4)13-23-16-26(11-20(5)6)29(31)27(17-23)12-21(7)8/h13-21H,9-12H2,1-8H3
InChIKey
GOVAISVZGLQKDS-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

48
References

0
Patents

421.31067 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.31795 207.5
[M+Na]+ 444.29989 211.5
[M-H]- 420.30339 213.2
[M+NH4]+ 439.34449 218.4
[M+K]+ 460.27383 206.9
[M+H-H2O]+ 404.30793 199.3
[M+HCOO]- 466.30887 222.1
[M+CH3COO]- 480.32452 239.3
[M+Na-2H]- 442.28534 198.0
[M]+ 421.31012 211.8
[M]- 421.31122 211.8
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.