CID 495637

Nsc664294

Structural Information

Molecular Formula
C24H33NO4
SMILES
CC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O
InChI
InChI=1S/C24H33NO4/c1-21(2,26)16-13-22-8-9-24(16,28-5)20-23(22)10-11-25(3)17(22)12-14-6-7-15(27-4)19(29-20)18(14)23/h6-7,16-17,20,26H,8-13H2,1-5H3
InChIKey
MKWFKXIKUBABHP-UHFFFAOYSA-N
Compound name
2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.24097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24825 192.7
[M+Na]+ 422.23019 195.8
[M-H]- 398.23369 190.9
[M+NH4]+ 417.27479 213.8
[M+K]+ 438.20413 192.0
[M+H-H2O]+ 382.23823 181.2
[M+HCOO]- 444.23917 189.9
[M+CH3COO]- 458.25482 198.2
[M+Na-2H]- 420.21564 199.4
[M]+ 399.24042 196.0
[M]- 399.24152 196.0
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.