CID 65719

Eseridine

Structural Information

Molecular Formula
C15H21N3O3
SMILES
C[C@@]12CCN(O[C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI
InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1
InChIKey
CNBHDDBNEKKMJH-ZFWWWQNUSA-N
Compound name
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

361
Patents

291.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 167.7
[M+Na]+ 314.14752 176.0
[M-H]- 290.15102 171.1
[M+NH4]+ 309.19212 185.4
[M+K]+ 330.12146 174.2
[M+H-H2O]+ 274.15556 160.5
[M+HCOO]- 336.15650 183.5
[M+CH3COO]- 350.17215 205.1
[M+Na-2H]- 312.13297 171.7
[M]+ 291.15775 169.4
[M]- 291.15885 169.4
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.