CID 3041116

Brn 1410970

Structural Information

Molecular Formula
C26H37NO4
SMILES
CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)OC5=O)(CCCC4(C)C(=O)N(C)C)C
InChI
InChI=1S/C26H37NO4/c1-14(2)16-13-26-11-8-17-24(3,9-7-10-25(17,4)23(30)27(5)6)18(26)12-15(16)19-20(26)22(29)31-21(19)28/h13-15,17-20H,7-12H2,1-6H3
InChIKey
VAHSSTSUDBYOCP-UHFFFAOYSA-N
Compound name
N,N,5,9-tetramethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.27225 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.27953 196.1
[M+Na]+ 450.26147 198.1
[M-H]- 426.26497 198.0
[M+NH4]+ 445.30607 217.4
[M+K]+ 466.23541 195.4
[M+H-H2O]+ 410.26951 187.9
[M+HCOO]- 472.27045 196.7
[M+CH3COO]- 486.28610 202.2
[M+Na-2H]- 448.24692 196.4
[M]+ 427.27170 196.1
[M]- 427.27280 196.1
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.