CID 129320292

Chebi:138462

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC[C@]12C[C@@](C3=NC4=CC=CC=C4[C@]35[C@H]1N(CC5)CC=C2)(C(=O)OC)O
InChI
InChI=1S/C21H24N2O3/c1-3-19-9-6-11-23-12-10-20(17(19)23)14-7-4-5-8-15(14)22-16(20)21(25,13-19)18(24)26-2/h4-9,17,25H,3,10-13H2,1-2H3/t17-,19-,20-,21+/m0/s1
InChIKey
DZPMBJHSZPWWDS-ZIBCJSCZSA-N
Compound name
methyl (1R,10R,12R,19S)-12-ethyl-10-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8,13-pentaene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 184.0
[M+Na]+ 375.16790 194.1
[M+NH4]+ 370.21250 196.5
[M+K]+ 391.14184 185.4
[M-H]- 351.17140 184.9
[M+Na-2H]- 373.15335 188.2
[M]+ 352.17813 186.1
[M]- 352.17923 186.1
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.