CID 168007652

Ervincine

Structural Information

Molecular Formula
C21H24N2O3
SMILES
C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@]45[C@@]3(N(C6=CC=CC=C64)C)O[C@H]2C5)C(=O)OC
InChI
InChI=1S/C21H24N2O3/c1-4-12-11-23-16-9-13(12)18(19(24)25-3)20-10-17(23)26-21(16,20)22(2)15-8-6-5-7-14(15)20/h4-8,13,16-18H,9-11H2,1-3H3/b12-4-/t13-,16-,17-,18-,20-,21-/m0/s1
InChIKey
DSIOBDCLSMIECF-MPEVPADFSA-N
Compound name
methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 184.4
[M+Na]+ 375.16790 193.2
[M+NH4]+ 370.21250 196.1
[M+K]+ 391.14184 188.8
[M-H]- 351.17140 185.1
[M+Na-2H]- 373.15335 181.6
[M]+ 352.17813 186.0
[M]- 352.17923 186.0
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.