CID 101324767

(1r,18s)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene

Structural Information

Molecular Formula
C20H25NO4
SMILES
CO[C@H]1C[C@]23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC
InChI
InChI=1S/C20H25NO4/c1-22-14-6-7-20-18(25-20)12-21-8-4-5-13-9-16(23-2)17(24-3)10-15(13)19(20,21)11-14/h6-7,9-10,14,18H,4-5,8,11-12H2,1-3H3/t14-,18?,19-,20?/m1/s1
InChIKey
JCKPCZAYDZJZIL-VVXDDCKHSA-N
Compound name
(1R,18S)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 179.7
[M+Na]+ 366.167558 188.3
[M-H]- 342.171064 188.3
[M+NH4]+ 361.212163 193.7
[M+K]+ 382.141498 187.8
[M+H-H2O]+ 326.175600 173.1
[M+HCOO]- 388.176541 192.1
[M+CH3COO]- 402.192191 189.6
[M+Na-2H]- 364.153006 184.0
[M]+ 343.17779142 183.7
[M]- 343.17888858 183.7
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.