CID 16151325

150493-27-9

Structural Information

Molecular Formula
C64H6O2
SMILES
CCOC(=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/C64H6O2/c1-2-66-62(65)61-63-57-49-41-31-21-13-5-3-4-7-11-9(5)17-25-19(11)29-23-15(7)16-8(4)12-10-6(3)14(13)22-28-18(10)26-20(12)30-24(16)34-33(23)43-37(29)47-39(25)45(35(41)27(17)21)53(57)55(47)59-51(43)52-44(34)38(30)48-40(26)46-36(28)42(32(22)31)50(49)58(63)54(46)56(48)60(52)64(59,61)63/h61H,2H2,1H3
InChIKey
CSRXALCPKNCXFL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

806.0368 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.04408 321.7
[M+Na]+ 829.02602 324.1
[M+NH4]+ 824.07062 322.7
[M+K]+ 844.99996 325.1
[M-H]- 805.02952 323.0
[M+Na-2H]- 827.01147 321.4
[M]+ 806.03625 322.7
[M]- 806.03735 322.7
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.