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 190.7
[M+Na]+ 402.20397 197.3
[M-H]- 378.20747 195.9
[M+NH4]+ 397.24857 210.1
[M+K]+ 418.17791 192.4
[M+H-H2O]+ 362.21201 179.8
[M+HCOO]- 424.21295 196.5
[M+CH3COO]- 438.22860 199.0
[M+Na-2H]- 400.18942 191.5
[M]+ 379.21420 190.5
[M]- 379.21530 190.5
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.