CID 630656

Nitiducarpin

Structural Information

Molecular Formula
C26H26O5
SMILES
CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=CC6=C(C=C45)OCO6)C)C
InChI
InChI=1S/C26H26O5/c1-15(2)5-4-9-26(3)10-8-16-20(31-26)7-6-17-24(16)27-13-19-18-11-22-23(29-14-28-22)12-21(18)30-25(17)19/h5-8,10-12,19,25H,4,9,13-14H2,1-3H3
InChIKey
BRJDSJJWJLKHSZ-UHFFFAOYSA-N
Compound name
7-methyl-7-(4-methylpent-3-enyl)-6,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.05,10.015,23.017,21]tetracosa-2(11),3,5(10),8,15,17(21),22-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.178 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18528 199.4
[M+Na]+ 441.16722 207.5
[M-H]- 417.17072 209.6
[M+NH4]+ 436.21182 213.1
[M+K]+ 457.14116 206.9
[M+H-H2O]+ 401.17526 194.0
[M+HCOO]- 463.17620 207.1
[M+CH3COO]- 477.19185 208.9
[M+Na-2H]- 439.15267 200.6
[M]+ 418.17745 204.8
[M]- 418.17855 204.8
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

No patent data available for this compound.