CID 16156485

150493-29-1

Structural Information

Molecular Formula
C66H10O2
SMILES
CC(C)(C)OC(=O)C1C23C14C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%10C%10=C1C1=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C7=C9C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C7=C%25C9=C(C4=C76)C4=C2C(=C%17C3=C%15C5=C81)C%19=C%21C4=C%239
InChI
InChI=1S/C66H10O2/c1-64(2,3)68-63(67)62-65-58-50-42-32-22-14-6-4-5-8-12-10(6)18-26-20(12)30-24-16(8)17-9(5)13-11-7(4)15(14)23-29-19(11)27-21(13)31-25(17)35-34(24)44-38(30)48-40(26)46(36(42)28(18)22)54(58)56(48)60-52(44)53-45(35)39(31)49-41(27)47-37(29)43(33(23)32)51(50)59(65)55(47)57(49)61(53)66(60,62)65/h62H,1-3H3
InChIKey
YGTNZHVTMAQCFA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

834.06805 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 835.07533 321.8
[M+Na]+ 857.05727 324.2
[M+NH4]+ 852.10187 322.8
[M+K]+ 873.03121 325.2
[M-H]- 833.06077 323.1
[M+Na-2H]- 855.04272 321.5
[M]+ 834.06750 322.8
[M]- 834.06860 322.8
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

patents stripe