CID 197073

Rx 336m

Structural Information

Molecular Formula
C24H29NO3
SMILES
CC1=C(C2CC(=O)C3C45C2(CC1)C(CC6=C4C(=C(C=C6)OC)O3)N(CC5)C)C
InChI
InChI=1S/C24H29NO3/c1-13-7-8-23-16(14(13)2)12-17(26)22-24(23)9-10-25(3)19(23)11-15-5-6-18(27-4)21(28-22)20(15)24/h5-6,16,19,22H,7-12H2,1-4H3
InChIKey
FYYHNMMBPNAWGG-UHFFFAOYSA-N
Compound name
13-methoxy-5,6,19-trimethyl-11-oxa-19-azahexacyclo[10.9.1.01,10.02,7.02,18.016,22]docosa-5,12,14,16(22)-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

379.21475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 192.6
[M+Na]+ 402.20397 205.3
[M+NH4]+ 397.24857 205.5
[M+K]+ 418.17791 195.0
[M-H]- 378.20747 197.4
[M+Na-2H]- 400.18942 193.8
[M]+ 379.21420 196.3
[M]- 379.21530 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.